ethyl 5-(phenylmethyl)-1-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-1-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-benzyl-1-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate CAS Name: 5-(phenylmethyl)-1-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-1-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate Traditional Name: 5-benzyl-1-propyl-3-[4-(2-sulfamoylphenyl)benzyl]pyrazole-4-carboxylic acid ethyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)OCC)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4S/c1-3-18-32-26(20-21-10-6-5-7-11-21)28(29(33)36-4-2)25(31-32)19-22-14-16-23(17-15-22)24-12-8-9-13-27(24)37(30,34)35/h5-17H,3-4,18-20H2,1-2H3,(H2,30,34,35)