[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] pyridine-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S/c22-17(14-26-18(23)15-5-4-8-19-13-15)20-9-11-21(12-10-20)27(24,25)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2