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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-benzyl-3-tert-butyl-pyrazole-4-sulfonamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-tert-butyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-benzyl-3-tert-butylpyrazole-4-sulfonamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-benzyl-3-tert-butyl-pyrazole-4-sulfonamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S2/c1-21(2,3)19-18(14-25(23-19)13-15-9-5-4-6-10-15)29(26,27)24-20-22-16-11-7-8-12-17(16)28-20/h4-12,14H,13H2,1-3H3,(H,22,24)