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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H21N3O6S MolecularWeight: 443.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC

InChI

InChI=1S/C21H21N3O6S/c1-14(23)17(12-22)19(25)13-30-21(26)15-8-10-16(11-9-15)31(27,28)24(2)18-6-4-5-7-20(18)29-3/h4-11,17,23H,13H2,1-3H3