cyanomethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: cyanomethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: cyanomethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(3,4-dichlorophenyl)sulfonylamino]-4-(methylthio)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3,4-dichlorophenyl)sulfonylamino]-4-(methylthio)butyric acid cyanomethyl ester Formula: C13H14Cl2N2O4S2 MolecularWeight: 397.29726

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC#N)NS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)OCC#N)NS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O4S2/c1-22-7-4-12(13(18)21-6-5-16)17-23(19,20)9-2-3-10(14)11(15)8-9/h2-3,8,12,17H,4,6-7H2,1H3