[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl (E)-3-(4-sulfamoylphenyl)prop-2-enoate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl (E)-3-(4-sulfamoylphenyl)prop-2-enoate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl (E)-3-(4-sulfamoylphenyl)prop-2-enoate CAS Name: (E)-3-(4-sulfamoylphenyl)-2-propenoic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl (E)-3-(4-sulfamoylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-sulfamoylphenyl)acrylic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C21H21N3O4S/c1-15-13-16(2)24(23-15)19-8-3-18(4-9-19)14-28-21(25)12-7-17-5-10-20(11-6-17)29(22,26)27/h3-13H,14H2,1-2H3,(H2,22,26,27)/b12-7+