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

Systemtic Name: 3-tert-butyl-N-(2,2-diethoxyethyl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(2,2-diethoxyethyl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(2,2-diethoxyethyl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(2,2-diethoxyethyl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(2,2-diethoxyethyl)pyrazole-4-sulfonamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNS(=O)(=O)C1=CN(N=C1C(C)(C)C)CC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(CNS(=O)(=O)C1=CN(N=C1C(C)(C)C)CC2=CC=CC=C2)OCC

InChI

InChI=1S/C20H31N3O4S/c1-6-26-18(27-7-2)13-21-28(24,25)17-15-23(22-19(17)20(3,4)5)14-16-11-9-8-10-12-16/h8-12,15,18,21H,6-7,13-14H2,1-5H3