ethyl 1-(1-phenylethyl)-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-phenylethyl)-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(1-phenylethyl)-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate CAS Name: 1-(1-phenylethyl)-4-[2-(phenylthio)phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-phenylethyl)-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylate Traditional Name: 1-(1-phenylethyl)-4-[2-(phenylthio)phenyl]isonipecotic acid ethyl ester Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(C)C2=CC=CC=C2)C3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(C)C2=CC=CC=C2)C3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C28H31NO2S/c1-3-31-27(30)28(18-20-29(21-19-28)22(2)23-12-6-4-7-13-23)25-16-10-11-17-26(25)32-24-14-8-5-9-15-24/h4-17,22H,3,18-21H2,1-2H3