[2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-keto-2-[4-(methanesulfonamido)phenyl]ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C20H19N3O5S/c1-14-11-12-21-23(14)18-9-5-16(6-10-18)20(25)28-13-19(24)15-3-7-17(8-4-15)22-29(2,26)27/h3-12,22H,13H2,1-2H3