2-[4-[(6-azanyl-2,3-dihydroindol-1-yl)sulfonyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[(6-azanyl-2,3-dihydroindol-1-yl)sulfonyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(6-aminoindolin-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[(6-amino-2,3-dihydroindol-1-yl)sulfonyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[(6-amino-2,3-dihydroindol-1-yl)sulfonyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(6-aminoindolin-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O4S/c1-20-18-25(37(35,36)32-17-14-22-7-8-23(30)19-28(22)32)11-13-26(20)27(29(33)34)12-6-21-4-9-24(10-5-21)31-15-2-3-16-31/h4-5,7-11,13,18-19,27H,2-3,6,12,14-17,30H2,1H3,(H,33,34)