methyl 2-[(2-cyanophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(2-cyanophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(2-cyanophenyl)sulfonylamino]propanoate CAS Name: 2-[(2-cyanophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(2-cyanophenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2-cyanophenyl)sulfonylamino]propionic acid methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C18H18N2O4S2/c1-24-18(21)16(13-25-12-14-7-3-2-4-8-14)20-26(22,23)17-10-6-5-9-15(17)11-19/h2-10,16,20H,12-13H2,1H3