methyl 4-[[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H27NO3S/c1-27-23(26)21-9-7-20(8-10-21)16-28-17-22(25)24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,19H,11-17H2,1H3