(6-chloranylpyridin-3-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-3-pyridyl)methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-(methylthio)butanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-(methylthio)butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C18H21ClN2O5S2 MolecularWeight: 444.95274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)OCC2=CN=C(C=C2)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2O5S2/c1-25-14-4-6-15(7-5-14)28(23,24)21-16(9-10-27-2)18(22)26-12-13-3-8-17(19)20-11-13/h3-8,11,16,21H,9-10,12H2,1-2H3