2-(4-methylphenyl)carbonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-(4-methylphenyl)carbonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-(4-methylbenzoyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[(4-methylphenyl)-oxomethyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-(4-methylbenzoyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-p-toluoyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H17N3O4S2/c1-13-6-8-14(9-7-13)20(26)16-4-2-3-5-17(16)21(27)25-22-24-18-11-10-15(31(23,28)29)12-19(18)30-22/h2-12H,1H3,(H2,23,28,29)(H,24,25,27)