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

Systemtic Name: ethyl 4-bromanyl-5-[(E)-1,2-diphenylethenyl]-1-[4-(ethylcarbamoylsulfamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-5-[(E)-1,2-diphenylvinyl]-1-[4-(ethylcarbamoylsulfamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-bromo-5-[(E)-1,2-diphenylethenyl]-1-[4-(ethylcarbamoylsulfamoyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-[(E)-1,2-diphenylethenyl]-1-[4-(ethylcarbamoylsulfamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-bromo-5-[(E)-1,2-diphenylvinyl]-1-[4-(ethylcarbamoylsulfamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C29H27BrN4O5S MolecularWeight: 623.51748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27BrN4O5S/c1-3-31-29(36)33-40(37,38)23-17-15-22(16-18-23)34-27(25(30)26(32-34)28(35)39-4-2)24(21-13-9-6-10-14-21)19-20-11-7-5-8-12-20/h5-19H,3-4H2,1-2H3,(H2,31,33,36)/b24-19+