(6-chloranylpyridin-3-yl)methyl 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: (6-chloro-3-pyridyl)methyl 2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: 2-(benzenesulfonamido)-4-(methylthio)butanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: 2-(benzenesulfonamido)-4-(methylthio)butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C17H19ClN2O4S2 MolecularWeight: 414.92676

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CN=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC1=CN=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19ClN2O4S2/c1-25-10-9-15(20-26(22,23)14-5-3-2-4-6-14)17(21)24-12-13-7-8-16(18)19-11-13/h2-8,11,15,20H,9-10,12H2,1H3