[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-(propylsulfonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-(propylsulfonylamino)benzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-(propylsulfonylamino)benzoate CAS Name: 3-(propylsulfonylamino)benzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-(propylsulfonylamino)benzoate Traditional Name: 3-(propylsulfonylamino)benzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5S/c1-2-13-30(27,28)23-18-10-6-9-17(14-18)21(26)29-15-20(25)24-12-11-19(22-24)16-7-4-3-5-8-16/h3-10,14,23H,2,11-13,15H2,1H3