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

Systemtic Name: 2-[4-[[2-(2-hydroxyethylcarbamoyl)-2,3-dihydroindol-1-yl]sulfonyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[2-(2-hydroxyethylcarbamoyl)indolin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[2-[(2-hydroxyethylamino)-oxomethyl]-2,3-dihydroindol-1-yl]sulfonyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[[2-(2-hydroxyethylcarbamoyl)-2,3-dihydroindol-1-yl]sulfonyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[2-(2-hydroxyethylcarbamoyl)indolin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C32H37N3O6S MolecularWeight: 591.71768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)NCCO)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)NCCO)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C32H37N3O6S/c1-22-20-26(42(40,41)35-29-7-3-2-6-24(29)21-30(35)31(37)33-16-19-36)13-15-27(22)28(32(38)39)14-10-23-8-11-25(12-9-23)34-17-4-5-18-34/h2-3,6-9,11-13,15,20,28,30,36H,4-5,10,14,16-19,21H2,1H3,(H,33,37)(H,38,39)