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

Systemtic Name: ethyl 3-propan-2-yl-1-propyl-5-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 3-isopropyl-1-propyl-5-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate CAS Name: 3-propan-2-yl-1-propyl-5-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-propan-2-yl-1-propyl-5-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate Traditional Name: 3-isopropyl-1-propyl-5-[4-(2-sulfamoylphenyl)benzyl]pyrazole-4-carboxylic acid ethyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-5-15-28-21(23(25(29)32-6-2)24(27-28)17(3)4)16-18-11-13-19(14-12-18)20-9-7-8-10-22(20)33(26,30)31/h7-14,17H,5-6,15-16H2,1-4H3,(H2,26,30,31)