1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-octyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-octyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-octyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-octyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-octyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 5-keto-1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-octyl-piperazine-2-carboxylic acid Formula: C26H34N2O6S MolecularWeight: 502.62296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C26H34N2O6S/c1-3-4-5-6-7-8-17-27-18-24(26(30)31)28(19-25(27)29)35(32,33)23-15-11-21(12-16-23)20-9-13-22(34-2)14-10-20/h9-16,24H,3-8,17-19H2,1-2H3,(H,30,31)