2-[2-methyl-4-[(5-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[2-methyl-4-[(5-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[2-methyl-4-(5-nitroindolin-1-yl)sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-[(5-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[2-methyl-4-[(5-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[2-methyl-4-(5-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/c1-20-18-25(39(37,38)31-17-14-22-19-24(32(35)36)9-13-28(22)31)10-12-26(20)27(29(33)34)11-6-21-4-7-23(8-5-21)30-15-2-3-16-30/h4-5,7-10,12-13,18-19,27H,2-3,6,11,14-17H2,1H3,(H,33,34)