2-[(4-benzamidophenyl)sulfonylmethyl]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid Openeye Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(2-pyridylmethylsulfanyl)propanoic acid CAS Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(2-pyridinylmethylthio)propanoic acid IUPAC Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid Traditional Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(2-pyridylmethylthio)propionic acid Formula: C23H22N2O5S2 MolecularWeight: 470.56118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(CSCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(CSCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C23H22N2O5S2/c26-22(17-6-2-1-3-7-17)25-19-9-11-21(12-10-19)32(29,30)16-18(23(27)28)14-31-15-20-8-4-5-13-24-20/h1-13,18H,14-16H2,(H,25,26)(H,27,28)