methyl (3E)-3-[5-[(4-chlorophenyl)sulfonylamino]-2-oxidanylidene-cyclohexylidene]-2-methyl-propanoate

Systemtic Name: methyl (3E)-3-[5-[(4-chlorophenyl)sulfonylamino]-2-oxidanylidene-cyclohexylidene]-2-methyl-propanoate Openeye Name: methyl (3E)-3-[5-[(4-chlorophenyl)sulfonylamino]-2-oxo-cyclohexylidene]-2-methyl-propanoate CAS Name: (3E)-3-[5-[(4-chlorophenyl)sulfonylamino]-2-oxocyclohexylidene]-2-methylpropanoic acid methyl ester IUPAC Name: methyl (3E)-3-[5-[(4-chlorophenyl)sulfonylamino]-2-oxocyclohexylidene]-2-methylpropanoate Traditional Name: (3E)-3-[5-[(4-chlorophenyl)sulfonylamino]-2-keto-cyclohexylidene]-2-methyl-propionic acid methyl ester Formula: C17H20ClNO5S MolecularWeight: 385.8624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C1CC(CCC1=O)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC(/C=C/1\CC(CCC1=O)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C17H20ClNO5S/c1-11(17(21)24-2)9-12-10-14(5-8-16(12)20)19-25(22,23)15-6-3-13(18)4-7-15/h3-4,6-7,9,11,14,19H,5,8,10H2,1-2H3/b12-9+