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

Systemtic Name: methyl 1-butyl-5-methyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate Openeye Name: methyl 1-butyl-5-methyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate CAS Name: 1-butyl-5-methyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-5-methyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate Traditional Name: 1-butyl-5-methyl-3-[4-(2-sulfamoylphenyl)benzyl]pyrazole-4-carboxylic acid methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-4-5-14-26-16(2)22(23(27)30-3)20(25-26)15-17-10-12-18(13-11-17)19-8-6-7-9-21(19)31(24,28)29/h6-13H,4-5,14-15H2,1-3H3,(H2,24,28,29)