[1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

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