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

Systemtic Name: 3-[3-methyl-4-[1-oxidanyl-1-oxidanylidene-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]phenyl]sulfonyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[4-[1-carboxy-3-(4-pyrrolidin-1-ylphenyl)propyl]-3-methyl-phenyl]sulfonylthiazolidine-4-carboxylic acid CAS Name: 3-[4-[1-hydroxy-1-oxo-4-[4-(1-pyrrolidinyl)phenyl]butan-2-yl]-3-methylphenyl]sulfonyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[4-[1-hydroxy-1-oxo-4-(4-pyrrolidin-1-ylphenyl)butan-2-yl]-3-methylphenyl]sulfonyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[4-[1-carboxy-3-(4-pyrrolidinophenyl)propyl]-3-methyl-phenyl]sulfonylthiazolidine-4-carboxylic acid Formula: C25H30N2O6S2 MolecularWeight: 518.6455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CSCC2C(=O)O)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CSCC2C(=O)O)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C25H30N2O6S2/c1-17-14-20(35(32,33)27-16-34-15-23(27)25(30)31)9-11-21(17)22(24(28)29)10-6-18-4-7-19(8-5-18)26-12-2-3-13-26/h4-5,7-9,11,14,22-23H,2-3,6,10,12-13,15-16H2,1H3,(H,28,29)(H,30,31)