4-[1-[[4-(4-methoxyphenyl)phenyl]sulfonyl-phenethyl-amino]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[1-[[4-(4-methoxyphenyl)phenyl]sulfonyl-phenethyl-amino]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-1-carboxylic acid Openeye Name: 4-[2-hydroxy-1-[[4-(4-methoxyphenyl)phenyl]sulfonyl-phenethyl-amino]-2-oxo-ethyl]piperidine-1-carboxylic acid CAS Name: 4-[2-hydroxy-1-[[4-(4-methoxyphenyl)phenyl]sulfonyl-phenethylamino]-2-oxoethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[2-hydroxy-1-[[4-(4-methoxyphenyl)phenyl]sulfonyl-phenethylamino]-2-oxoethyl]piperidine-1-carboxylic acid Traditional Name: 4-[2-hydroxy-2-keto-1-[[4-(4-methoxyphenyl)phenyl]sulfonyl-phenethyl-amino]ethyl]piperidine-1-carboxylic acid Formula: C29H32N2O7S MolecularWeight: 552.63858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)C(C4CCN(CC4)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)C(C4CCN(CC4)C(=O)O)C(=O)O

InChI

InChI=1S/C29H32N2O7S/c1-38-25-11-7-22(8-12-25)23-9-13-26(14-10-23)39(36,37)31(20-15-21-5-3-2-4-6-21)27(28(32)33)24-16-18-30(19-17-24)29(34)35/h2-14,24,27H,15-20H2,1H3,(H,32,33)(H,34,35)