methyl 4-[(4-cyanophenyl)sulfamoyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(4-cyanophenyl)sulfamoyl]-3-nitro-benzoate Openeye Name: methyl 4-[(4-cyanophenyl)sulfamoyl]-3-nitro-benzoate CAS Name: 4-[(4-cyanophenyl)sulfamoyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(4-cyanophenyl)sulfamoyl]-3-nitrobenzoate Traditional Name: 4-[(4-cyanophenyl)sulfamoyl]-3-nitro-benzoic acid methyl ester Formula: C15H11N3O6S MolecularWeight: 361.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O6S/c1-24-15(19)11-4-7-14(13(8-11)18(20)21)25(22,23)17-12-5-2-10(9-16)3-6-12/h2-8,17H,1H3