2-[2-methyl-4-[(7-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[2-methyl-4-[(7-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[2-methyl-4-(7-nitroindolin-1-yl)sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-[(7-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[2-methyl-4-[(7-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[2-methyl-4-(7-nitroindolin-1-yl)sulfonyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C29H31N3O6S MolecularWeight: 549.63794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=C2C(=CC=C3)[N+](=O)[O-])C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=C2C(=CC=C3)[N+](=O)[O-])C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C29H31N3O6S/c1-20-19-24(39(37,38)31-18-15-22-5-4-6-27(28(22)31)32(35)36)12-14-25(20)26(29(33)34)13-9-21-7-10-23(11-8-21)30-16-2-3-17-30/h4-8,10-12,14,19,26H,2-3,9,13,15-18H2,1H3,(H,33,34)