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

Systemtic Name: 3-tert-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CN(N=C3C(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CN(N=C3C(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S2/c1-15-9-8-12-17-19(15)23-21(29-17)25-30(27,28)18-14-26(24-20(18)22(2,3)4)13-16-10-6-5-7-11-16/h5-12,14H,13H2,1-4H3,(H,23,25)