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

Systemtic Name: 3-tert-butyl-1-cyclopentyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Openeye Name: 3-tert-butyl-1-cyclopentyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-1-cyclopentyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-pyrazolesulfonamide IUPAC Name: 3-tert-butyl-1-cyclopentyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Traditional Name: 3-tert-butyl-1-cyclopentyl-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Formula: C20H26N4O4S3 MolecularWeight: 482.63984

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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)C4CCCC4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C4CCCC4

InChI

InChI=1S/C20H26N4O4S3/c1-20(2,3)18-17(12-24(22-18)13-7-5-6-8-13)31(27,28)23-19-21-15-10-9-14(30(4,25)26)11-16(15)29-19/h9-13H,5-8H2,1-4H3,(H,21,23)