(phenylmethyl) 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Openeye Name: benzyl 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-4-carboxylate CAS Name: 4-[3-(3-chloro-6-methoxy-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(3-chloro-6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-4-carboxylate Traditional Name: 4-[3-(3-chloro-6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]isonipecotic acid benzyl ester Formula: C32H35ClN2O3S2 MolecularWeight: 595.2149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCSC4=CC=CS4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)Cl)CCCC3(CCN(CC3)CCSC4=CC=CS4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H35ClN2O3S2/c1-37-25-11-12-29-27(21-25)26(28(33)22-34-29)9-5-13-32(31(36)38-23-24-7-3-2-4-8-24)14-16-35(17-15-32)18-20-40-30-10-6-19-39-30/h2-4,6-8,10-12,19,21-22H,5,9,13-18,20,23H2,1H3