2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-(4-indolin-1-ylsulfonyl-2-methyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-(4-indolin-1-ylsulfonyl-2-methyl-phenyl)-4-(4-pyrrolidinophenyl)butyric acid Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C29H32N2O4S/c1-21-20-25(36(34,35)31-19-16-23-6-2-3-7-28(23)31)13-15-26(21)27(29(32)33)14-10-22-8-11-24(12-9-22)30-17-4-5-18-30/h2-3,6-9,11-13,15,20,27H,4-5,10,14,16-19H2,1H3,(H,32,33)