1-benzyl 7-methyl 6-(4-methylbenzenesulfonyl)-4,5-dioxo-3H,4H,5H,6H-pyrrolo[3,2-e]indole-1,7-dicarboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H20N2O8S
Molecular Weight	532.521
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-benzyl 7-methyl 6-(4-methylbenzenesulfonyl)-4,5-dioxo-3H,4H,5H,6H-pyrrolo[3,2-e]indole-1,7-dicarboxylate

Structure Search

SMILES

COC(=O)C1=CC2=C(N1S(=O)(=O)C3=CC=C(C)C=C3)C(=O)C(=O)C4=C2C(=CN4)C(=O)OCC5=CC=CC=C5

InChI

InChIKey=AVADCSIAVBNFKV-UHFFFAOYSA-N

InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)36-2)12-18-21-19(13-28-22(21)24(30)25(31)23(18)29)26(32)37-14-16-6-4-3-5-7-16/h3-13,28H,14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C27H20N2O8S
Molecular Weight	532.521
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:45:59 GMT 2023` Edited by `admin` on `Sat Dec 16 12:45:59 GMT 2023`
Record UNII	7KQA7N4UAT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-benzyl 7-methyl 6-(4-methylbenzenesulfonyl)-4,5-dioxo-3H,4H,5H,6H-pyrrolo[3,2-e]indole-1,7-dicarboxylate

Systematic Name

English

7-Methyl 1-(phenylmethyl) 3,4,5,6-tetrahydro-6-[(4-methylphenyl)sulfonyl]-4,5-dioxobenzo[1,2-b:4,3-b′]dipyrrole-1,7-dicarboxylate

Systematic Name

English

NSC-679525

Code

English

BENZYL 7-(METHOXYCARBONYL)-3,4,5,6-TETRAHYDRO-4,5-DIOXO-6-((4-METHYLPHENYL)SULFONYL)BENZO(1,2-B:4,3-B')DIPYRROLE-1-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

FDA UNII

7KQA7N4UAT