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

Systemtic Name: 3-[(3-cyanophenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(3-cyanophenyl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[(3-cyanophenyl)sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(3-cyanophenyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(3-cyanophenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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