[3-(dimethylsulfamoyl)phenyl]methyl 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-23(2)29(26,27)20-10-6-7-17(13-20)16-28-21(25)12-11-18-14-22-24(15-18)19-8-4-3-5-9-19/h3-10,13-15H,11-12,16H2,1-2H3