ethyl 2-[(4-cyanophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-cyanophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-cyanophenyl)sulfonylamino]propanoate CAS Name: 2-[(4-cyanophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-cyanophenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-cyanophenyl)sulfonylamino]propionic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H20N2O4S2/c1-2-25-19(22)18(14-26-13-16-6-4-3-5-7-16)21-27(23,24)17-10-8-15(12-20)9-11-17/h3-11,18,21H,2,13-14H2,1H3