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

Systemtic Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-sulfonamide Openeye Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-sulfonamide CAS Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-4-pyrazolesulfonamide IUPAC Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-sulfonamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-pyrazole-4-sulfonamide Formula: C18H16N4O4S3 MolecularWeight: 448.53904

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S3/c1-12-17(11-22(20-12)13-6-4-3-5-7-13)29(25,26)21-18-19-15-9-8-14(28(2,23)24)10-16(15)27-18/h3-11H,1-2H3,(H,19,21)