N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxidanylidene-3H-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxidanylidene-3H-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[1-[5-methyl-1-(o-tolyl)pyrazol-4-yl]ethyl]-2-oxo-3H-1,3-benzothiazole-6-sulfonamide CAS Name: N-[1-[5-methyl-1-(2-methylphenyl)-4-pyrazolyl]ethyl]-2-oxo-3H-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-oxo-3H-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-keto-N-[1-[5-methyl-1-(o-tolyl)pyrazol-4-yl]ethyl]-3H-1,3-benzothiazole-6-sulfonamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(C)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)S4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(C)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)S4)C

InChI

InChI=1S/C20H20N4O3S2/c1-12-6-4-5-7-18(12)24-14(3)16(11-21-24)13(2)23-29(26,27)15-8-9-17-19(10-15)28-20(25)22-17/h4-11,13,23H,1-3H3,(H,22,25)