(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C22H23N3O6S/c1-15(24)18(12-23)19(26)14-31-22(27)17-9-10-20(30-3)21(11-17)32(28,29)25(2)13-16-7-5-4-6-8-16/h4-11,18,24H,13-14H2,1-3H3