1-butyl-3-methyl-5-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]phenyl]methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-butyl-3-methyl-5-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]phenyl]methyl]pyrazole-4-carboxylic acid Openeye Name: 5-[[4-[2-(tert-butoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-1-butyl-3-methyl-pyrazole-4-carboxylic acid CAS Name: 1-butyl-3-methyl-5-[[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]sulfamoyl]phenyl]phenyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-butyl-3-methyl-5-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]phenyl]methyl]pyrazole-4-carboxylic acid Traditional Name: 5-[4-[2-(tert-butoxycarbonylsulfamoyl)phenyl]benzyl]-1-butyl-3-methyl-pyrazole-4-carboxylic acid Formula: C27H33N3O6S MolecularWeight: 527.63242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N3O6S/c1-6-7-16-30-22(24(25(31)32)18(2)28-30)17-19-12-14-20(15-13-19)21-10-8-9-11-23(21)37(34,35)29-26(33)36-27(3,4)5/h8-15H,6-7,16-17H2,1-5H3,(H,29,33)(H,31,32)