ethyl 5-butyl-2-(2-chloranyl-5-nitro-phenyl)-4-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butyl-2-(2-chloranyl-5-nitro-phenyl)-4-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-2-(2-chloro-5-nitro-phenyl)-4-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-2-(2-chloro-5-nitrophenyl)-4-[[4-(2-sulfamoylphenyl)phenyl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-(2-chloro-5-nitrophenyl)-4-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-2-(2-chloro-5-nitro-phenyl)-4-[4-(2-sulfamoylphenyl)benzyl]pyrazole-3-carboxylic acid ethyl ester Formula: C29H29ClN4O6S MolecularWeight: 597.08176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)OCC)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)OCC)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C29H29ClN4O6S/c1-3-5-9-25-23(17-19-11-13-20(14-12-19)22-8-6-7-10-27(22)41(31,38)39)28(29(35)40-4-2)33(32-25)26-18-21(34(36)37)15-16-24(26)30/h6-8,10-16,18H,3-5,9,17H2,1-2H3,(H2,31,38,39)