methyl 2-[4-[[1-(1-naphthalen-1-ylcarbonylpiperidin-4-yl)piperidin-4-yl]methyl]phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-[[1-(1-naphthalen-1-ylcarbonylpiperidin-4-yl)piperidin-4-yl]methyl]phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-[[1-[1-(naphthalene-1-carbonyl)-4-piperidyl]-4-piperidyl]methyl]phenyl]sulfanylacetate CAS Name: 2-[[4-[[1-[1-[1-naphthalenyl(oxo)methyl]-4-piperidinyl]-4-piperidinyl]methyl]phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]phenyl]sulfanylacetate Traditional Name: 2-[[4-[[1-[1-(1-naphthoyl)-4-piperidyl]-4-piperidyl]methyl]phenyl]thio]acetic acid methyl ester Formula: C31H36N2O3S MolecularWeight: 516.69414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC=C(C=C1)CC2CCN(CC2)C3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC(=O)CSC1=CC=C(C=C1)CC2CCN(CC2)C3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H36N2O3S/c1-36-30(34)22-37-27-11-9-23(10-12-27)21-24-13-17-32(18-14-24)26-15-19-33(20-16-26)31(35)29-8-4-6-25-5-2-3-7-28(25)29/h2-12,24,26H,13-22H2,1H3