ethyl 4-bromanyl-1-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-1-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-1-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-5-[(E)-styryl]pyrazole-3-carboxylate CAS Name: 4-bromo-1-[4-[[(cyclohexylamino)-oxomethyl]sulfamoyl]phenyl]-5-[(E)-2-phenylethenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate Traditional Name: 4-bromo-1-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-5-[(E)-styryl]pyrazole-3-carboxylic acid ethyl ester Formula: C27H29BrN4O5S MolecularWeight: 601.51196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Br)C=CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1Br)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4

InChI

InChI=1S/C27H29BrN4O5S/c1-2-37-26(33)25-24(28)23(18-13-19-9-5-3-6-10-19)32(30-25)21-14-16-22(17-15-21)38(35,36)31-27(34)29-20-11-7-4-8-12-20/h3,5-6,9-10,13-18,20H,2,4,7-8,11-12H2,1H3,(H2,29,31,34)/b18-13+