[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-(4-morpholinosulfonylphenyl)ethyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H18N2O6S/c21-17(13-26-18(22)15-5-7-19-8-6-15)14-1-3-16(4-2-14)27(23,24)20-9-11-25-12-10-20/h1-8H,9-13H2