2-[2-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydroindol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydroindol-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-3-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5,6,7-tetrahydroindol-1-yl]acetic acid CAS Name: 2-[2-methyl-3-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-4,5,6,7-tetrahydroindol-1-yl]acetic acid IUPAC Name: 2-[2-methyl-3-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5,6,7-tetrahydroindol-1-yl]acetic acid Traditional Name: 2-[2-methyl-3-(4-pyrrolidinosulfonylbenzoyl)-4,5,6,7-tetrahydroindol-1-yl]acetic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)CCCC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)CCCC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N2O5S/c1-15-21(18-6-2-3-7-19(18)24(15)14-20(25)26)22(27)16-8-10-17(11-9-16)30(28,29)23-12-4-5-13-23/h8-11H,2-7,12-14H2,1H3,(H,25,26)