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

Systemtic Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S2/c1-5-30-17-11-12-18-19(13-17)31-22(24-18)26-32(28,29)20-15-27(25-21(20)23(2,3)4)14-16-9-7-6-8-10-16/h6-13,15H,5,14H2,1-4H3,(H,24,26)