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

Systemtic Name: ethyl 4-bromanyl-1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-styryl]pyrazole-3-carboxylate CAS Name: 4-bromo-1-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-5-[(E)-2-phenylethenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate Traditional Name: 4-bromo-1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-styryl]pyrazole-3-carboxylic acid ethyl ester Formula: C25H27BrN4O5S MolecularWeight: 575.47468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN4O5S/c1-3-5-17-27-25(32)29-36(33,34)20-14-12-19(13-15-20)30-21(16-11-18-9-7-6-8-10-18)22(26)23(28-30)24(31)35-4-2/h6-16H,3-5,17H2,1-2H3,(H2,27,29,32)/b16-11+