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

Systemtic Name: methyl 1-butyl-3-methyl-5-[[4-[2-(2-methylpropoxycarbonylsulfamoyl)phenyl]phenyl]methyl]pyrazole-4-carboxylate Openeye Name: methyl 1-butyl-5-[[4-[2-(isobutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-3-methyl-5-[[4-[2-[[2-methylpropoxy(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-3-methyl-5-[[4-[2-(2-methylpropoxycarbonylsulfamoyl)phenyl]phenyl]methyl]pyrazole-4-carboxylate Traditional Name: 1-butyl-5-[4-[2-(isobutoxycarbonylsulfamoyl)phenyl]benzyl]-3-methyl-pyrazole-4-carboxylic acid methyl ester Formula: C28H35N3O6S MolecularWeight: 541.659

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H35N3O6S/c1-6-7-16-31-24(26(20(4)29-31)27(32)36-5)17-21-12-14-22(15-13-21)23-10-8-9-11-25(23)38(34,35)30-28(33)37-18-19(2)3/h8-15,19H,6-7,16-18H2,1-5H3,(H,30,33)