ethyl 4-[[6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-hydroxy-1-piperidyl)-6-(4-methylsulfanylphenyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-(4-hydroxy-1-piperidinyl)-6-[4-(methylthio)phenyl]-3-pyridinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-hydroxypiperidin-1-yl)-6-(4-methylsulfanylphenyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-hydroxypiperidino)-6-[4-(methylthio)phenyl]nicotinoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N=C(C=C2)C3=CC=C(C=C3)SC)N4CCC(CC4)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N=C(C=C2)C3=CC=C(C=C3)SC)N4CCC(CC4)O

InChI

InChI=1S/C26H34N4O4S/c1-3-34-26(33)30-14-10-19(11-15-30)27-25(32)22-8-9-23(18-4-6-21(35-2)7-5-18)28-24(22)29-16-12-20(31)13-17-29/h4-9,19-20,31H,3,10-17H2,1-2H3,(H,27,32)