KD-3010

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H25F3N2O5S.C7H8O3S
Molecular Weight	670.717
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.C[C@H]2CN(C[C@@H](C)N2S(=O)(=O)C3=CC=CC4=C3C[C@H](C4)C(O)=O)C5=CC=C(OC(F)(F)F)C=C5

InChI

InChIKey=SUTQDFLDQUPTKX-DYWLMRBWSA-N

InChI=1S/C23H25F3N2O5S.C7H8O3S/c1-14-12-27(18-6-8-19(9-7-18)33-23(24,25)26)13-15(2)28(14)34(31,32)21-5-3-4-16-10-17(22(29)30)11-20(16)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,14-15,17H,10-13H2,1-2H3,(H,29,30);2-5H,1H3,(H,8,9,10)/t14-,15+,17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C23H25F3N2O5S
Molecular Weight	498.515
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:11:00 GMT 2025` Edited by `admin` on `Mon Mar 31 22:11:00 GMT 2025`
Record UNII	DIO2QPE05J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KD-3010

Code

English

(S)-4-(((2R,6S)-2,6-dimethyl-4-(4-(trifluoromethoxy)phenyl)piperazin-1-yl)sulfonyl)-2,3-dihydro-1H-indene-2-carboxylic acid compound with 4-methylbenzenesulfonic acid (1:1)

Preferred Name

English

Code System Code Type Description

FDA UNII

DIO2QPE05J