methyl 1-[2-(diphenylmethyl)sulfanylethanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(diphenylmethyl)sulfanylethanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-(2-benzhydrylsulfanylacetyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[(diphenylmethyl)thio]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzhydrylsulfanylacetyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-(benzhydrylthio)acetyl]-4-phenyl-isonipecotic acid methyl ester Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO3S/c1-32-27(31)28(24-15-9-4-10-16-24)17-19-29(20-18-28)25(30)21-33-26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,26H,17-21H2,1H3