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

Systemtic Name: 3-tert-butyl-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide Openeye Name: 3-tert-butyl-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-4-pyrazolesulfonamide IUPAC Name: 3-tert-butyl-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide Traditional Name: 3-tert-butyl-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S2/c1-21(2,3)20-19(15-25(24-20)17-7-5-4-6-8-17)31(28,29)23-14-13-16-9-11-18(12-10-16)30(22,26)27/h4-12,15,23H,13-14H2,1-3H3,(H2,22,26,27)