3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide CAS Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-methyl-pyrazole-4-sulfonamide Formula: C19H18N4O4S3 MolecularWeight: 462.56562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C19H18N4O4S3/c1-13-18(12-23(21-13)11-14-6-4-3-5-7-14)30(26,27)22-19-20-16-9-8-15(29(2,24)25)10-17(16)28-19/h3-10,12H,11H2,1-2H3,(H,20,22)