ethyl 4-[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-(2-oxo-1H-pyridin-3-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-keto-1H-pyridine-3-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=O

InChI

InChI=1S/C19H21N3O6S/c1-2-28-19(25)14-5-7-15(8-6-14)29(26,27)22-12-10-21(11-13-22)18(24)16-4-3-9-20-17(16)23/h3-9H,2,10-13H2,1H3,(H,20,23)