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

Systemtic Name: ethyl 5-cyclopropyl-1-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-cyclopropyl-1-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate CAS Name: 5-cyclopropyl-1-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclopropyl-1-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-4-carboxylate Traditional Name: 5-cyclopropyl-1-propyl-3-[4-(2-sulfamoylphenyl)benzyl]pyrazole-4-carboxylic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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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)C4CC4

Isomeric SMILES

CCCN1C(=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)OCC)C4CC4

InChI

InChI=1S/C25H29N3O4S/c1-3-15-28-24(19-13-14-19)23(25(29)32-4-2)21(27-28)16-17-9-11-18(12-10-17)20-7-5-6-8-22(20)33(26,30)31/h5-12,19H,3-4,13-16H2,1-2H3,(H2,26,30,31)