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

Systemtic Name: 3-tert-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-sulfonamide Openeye Name: 3-tert-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-4-pyrazolesulfonamide IUPAC Name: 3-tert-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-sulfonamide Traditional Name: 3-tert-butyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-sulfonamide Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S3/c1-21(2,3)19-18(13-25(23-19)14-8-6-5-7-9-14)32(28,29)24-20-22-16-11-10-15(31(4,26)27)12-17(16)30-20/h5-13H,1-4H3,(H,22,24)