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

Systemtic Name: ethyl 1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-styryl]pyrazole-3-carboxylate CAS Name: 1-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-5-[(E)-2-phenylethenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-(butylcarbamoylsulfamoyl)phenyl]-5-[(E)-styryl]pyrazole-3-carboxylic acid ethyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O5S/c1-3-5-17-26-25(31)28-35(32,33)22-15-13-20(14-16-22)29-21(12-11-19-9-7-6-8-10-19)18-23(27-29)24(30)34-4-2/h6-16,18H,3-5,17H2,1-2H3,(H2,26,28,31)/b12-11+