1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-5-nitro-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-5-nitro-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonyl-5-nitro-indoline-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-5-nitro-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methylphenyl]sulfonyl-5-nitro-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]-3-methyl-phenyl]sulfonyl-5-nitro-indoline-2-carboxylic acid Formula: C30H31N3O8S MolecularWeight: 593.64744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=C2C=CC(=C3)[N+](=O)[O-])C(=O)O)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=C2C=CC(=C3)[N+](=O)[O-])C(=O)O)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C30H31N3O8S/c1-19-16-24(42(40,41)32-27-13-9-23(33(38)39)17-21(27)18-28(32)30(36)37)10-12-25(19)26(29(34)35)11-6-20-4-7-22(8-5-20)31-14-2-3-15-31/h4-5,7-10,12-13,16-17,26,28H,2-3,6,11,14-15,18H2,1H3,(H,34,35)(H,36,37)