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

Systemtic Name: 3-tert-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Formula: C22H24N4O4S3 MolecularWeight: 504.64536

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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)CC4=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)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4S3/c1-22(2,3)20-19(14-26(24-20)13-15-8-6-5-7-9-15)33(29,30)25-21-23-17-11-10-16(32(4,27)28)12-18(17)31-21/h5-12,14H,13H2,1-4H3,(H,23,25)