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

Systemtic Name: 1-butyl-3-methyl-5-[[4-[2-(2-methylpropoxycarbonylsulfamoyl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid Openeye Name: 1-butyl-5-[[4-[2-(isobutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-3-methyl-pyrazole-4-carboxylic acid CAS Name: 1-butyl-3-methyl-5-[[4-[2-[[2-methylpropoxy(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-butyl-3-methyl-5-[[4-[2-(2-methylpropoxycarbonylsulfamoyl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid Traditional Name: 1-butyl-5-[4-[2-(isobutoxycarbonylsulfamoyl)phenyl]benzyl]-3-methyl-pyrazole-4-carboxylic acid Formula: C27H33N3O6S MolecularWeight: 527.63242

Click to see the large picture

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)OCC(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)OCC(C)C

InChI

InChI=1S/C27H33N3O6S/c1-5-6-15-30-23(25(26(31)32)19(4)28-30)16-20-11-13-21(14-12-20)22-9-7-8-10-24(22)37(34,35)29-27(33)36-17-18(2)3/h7-14,18H,5-6,15-17H2,1-4H3,(H,29,33)(H,31,32)