(1R,2R)-2-[(4-Benzoisothiazol-3-yl)piperazin-1-yl-methylcyclohexyl)]methyl 4-benzoisothiazol-3-yl)piperazine-1-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H38N6O2S2
Molecular Weight	590.802
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1R,2R)-2-[(4-Benzoisothiazol-3-yl)piperazin-1-yl-methylcyclohexyl)]methyl 4-benzoisothiazol-3-yl)piperazine-1-carboxylate

Structure Search

SMILES

O=C(OC[C@@H]1CCCC[C@H]1CN2CCN(CC2)C3=NSC4=C3C=CC=C4)N5CCN(CC5)C6=NSC7=C6C=CC=C7

InChI

InChIKey=IUCKBDGFLIFCCX-ZEQRLZLVSA-N

InChI=1S/C31H38N6O2S2/c38-31(37-19-17-36(18-20-37)30-26-10-4-6-12-28(26)41-33-30)39-22-24-8-2-1-7-23(24)21-34-13-15-35(16-14-34)29-25-9-3-5-11-27(25)40-32-29/h3-6,9-12,23-24H,1-2,7-8,13-22H2/t23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H38N6O2S2
Molecular Weight	590.802
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:34:37 GMT 2025` Edited by `admin` on `Wed Apr 02 20:34:37 GMT 2025`
Record UNII	9UY3B4V6N7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1R,2R)-2-[(4-Benzoisothiazol-3-yl)piperazin-1-yl-methylcyclohexyl)]methyl 4-benzoisothiazol-3-yl)piperazine-1-carboxylate

Systematic Name

English

1-Piperazinecarboxylic acid, 4-(1,2-benzisothiazol-3-yl)-, [(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl ester

Preferred Name

English

[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl 4-(1,2-benzisothiazol-3-yl)-1-piperazinecarboxylate

Systematic Name

English

Code System Code Type Description

CAS

1807983-63-6

Created by admin on Wed Apr 02 20:34:37 GMT 2025 , Edited by admin on Wed Apr 02 20:34:37 GMT 2025

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FDA UNII

9UY3B4V6N7

Created by admin on Wed Apr 02 20:34:37 GMT 2025 , Edited by admin on Wed Apr 02 20:34:37 GMT 2025

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PUBCHEM

125390269

Created by admin on Wed Apr 02 20:34:37 GMT 2025 , Edited by admin on Wed Apr 02 20:34:37 GMT 2025

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