4-methoxy-1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxy-1-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonyl-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methylphenyl]sulfonyl-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]-3-methyl-phenyl]sulfonyl-4-methoxy-proline Formula: C27H34N2O7S MolecularWeight: 530.63306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC(CC2C(=O)O)OC)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC(CC2C(=O)O)OC)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C27H34N2O7S/c1-18-15-22(37(34,35)29-17-21(36-2)16-25(29)27(32)33)10-12-23(18)24(26(30)31)11-7-19-5-8-20(9-6-19)28-13-3-4-14-28/h5-6,8-10,12,15,21,24-25H,3-4,7,11,13-14,16-17H2,1-2H3,(H,30,31)(H,32,33)