methyl 1-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-(p-tolylsulfanylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[(4-methylphenyl)thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(p-tolylthio)methyl]benzoyl]isonipecotic acid methyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H25NO3S/c1-16-3-9-20(10-4-16)27-15-17-5-7-18(8-6-17)21(24)23-13-11-19(12-14-23)22(25)26-2/h3-10,19H,11-15H2,1-2H3