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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)O)C(CCC3=C(C=C(C=C3)N4CCCC4)OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C(=O)O)C(CCC3=C(C=C(C=C3)N4CCCC4)OC)C(=O)O

InChI

InChI=1S/C27H34N2O7S/c1-18-16-21(37(34,35)29-15-5-6-24(29)27(32)33)10-12-22(18)23(26(30)31)11-8-19-7-9-20(17-25(19)36-2)28-13-3-4-14-28/h7,9-10,12,16-17,23-24H,3-6,8,11,13-15H2,1-2H3,(H,30,31)(H,32,33)