3-[(4-cyanophenyl)sulfamoyl]-4,5-dimethyl-benzoate

Systemtic Name: 3-[(4-cyanophenyl)sulfamoyl]-4,5-dimethyl-benzoate Openeye Name: 3-[(4-cyanophenyl)sulfamoyl]-4,5-dimethyl-benzoate CAS Name: 3-[(4-cyanophenyl)sulfamoyl]-4,5-dimethylbenzoate IUPAC Name: 3-[(4-cyanophenyl)sulfamoyl]-4,5-dimethylbenzoate Traditional Name: 3-[(4-cyanophenyl)sulfamoyl]-4,5-dimethyl-benzoate Formula: C16H13N2O4S- MolecularWeight: 329.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C16H14N2O4S/c1-10-7-13(16(19)20)8-15(11(10)2)23(21,22)18-14-5-3-12(9-17)4-6-14/h3-8,18H,1-2H3,(H,19,20)/p-1