methyl 2-[(4-acetamidophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(4-acetamidophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[(4-acetamidophenyl)sulfonylamino]-3-benzylsulfanyl-propanoate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[(4-acetamidophenyl)sulfonylamino]-3-benzylsulfanylpropanoate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-(benzylthio)propionic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H22N2O5S2/c1-14(22)20-16-8-10-17(11-9-16)28(24,25)21-18(19(23)26-2)13-27-12-15-6-4-3-5-7-15/h3-11,18,21H,12-13H2,1-2H3,(H,20,22)