[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c30-24(28-21-13-16-29(17-14-21)18-20-8-3-1-4-9-20)19-32-26(31)23-12-7-15-27-25(23)33-22-10-5-2-6-11-22/h1-12,15,21H,13-14,16-19H2,(H,28,30)