3-tert-butyl-1-(phenylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-1-(phenylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-1-(phenylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S2/c1-22(2,3)21-20(16-26(25-21)15-18-7-5-4-6-8-18)32(29,30)24-14-13-17-9-11-19(12-10-17)31(23,27)28/h4-12,16,24H,13-15H2,1-3H3,(H2,23,27,28)