[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] pyridine-3-carboxylate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CN=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CN=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O5S/c23-18(14-27-19(24)17-7-4-8-20-13-17)21-9-11-22(12-10-21)28(25,26)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2