ethyl 1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-1,2-diphenylethenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-1,2-diphenylethenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-1,2-diphenylvinyl]pyrazole-3-carboxylate CAS Name: 1-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-5-[(E)-1,2-diphenylethenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-1,2-diphenylethenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-1,2-diphenylvinyl]pyrazole-3-carboxylic acid ethyl ester Formula: C31H32N4O5S MolecularWeight: 572.67458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OCC)C(=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OCC)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4

InChI

InChI=1S/C31H32N4O5S/c1-3-5-20-32-31(37)34-41(38,39)26-18-16-25(17-19-26)35-29(22-28(33-35)30(36)40-4-2)27(24-14-10-7-11-15-24)21-23-12-8-6-9-13-23/h6-19,21-22H,3-5,20H2,1-2H3,(H2,32,34,37)/b27-21+