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

Systemtic Name: 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-(4-indolin-1-ylsulfonylphenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-(4-indolin-1-ylsulfonylphenyl)-4-(4-pyrrolidinophenyl)butyric acid Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C28H30N2O4S/c31-28(32)26(16-9-21-7-12-24(13-8-21)29-18-3-4-19-29)22-10-14-25(15-11-22)35(33,34)30-20-17-23-5-1-2-6-27(23)30/h1-2,5-8,10-15,26H,3-4,9,16-20H2,(H,31,32)