ethyl 4-bromanyl-1-[4-(phenylcarbamoylsulfamoyl)phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-1-[4-(phenylcarbamoylsulfamoyl)phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-5-[(E)-1-methyl-2-phenyl-vinyl]-1-[4-(phenylcarbamoylsulfamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 1-[4-[[anilino(oxo)methyl]sulfamoyl]phenyl]-4-bromo-5-[(E)-1-phenylprop-1-en-2-yl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-[4-(phenylcarbamoylsulfamoyl)phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Traditional Name: 4-bromo-5-[(E)-1-methyl-2-phenyl-vinyl]-1-[4-(phenylcarbamoylsulfamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C28H25BrN4O5S MolecularWeight: 609.4909

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Br)C(=CC2=CC=CC=C2)C)C3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1Br)/C(=C/C2=CC=CC=C2)/C)C3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H25BrN4O5S/c1-3-38-27(34)25-24(29)26(19(2)18-20-10-6-4-7-11-20)33(31-25)22-14-16-23(17-15-22)39(36,37)32-28(35)30-21-12-8-5-9-13-21/h4-18H,3H2,1-2H3,(H2,30,32,35)/b19-18+