[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H36N2O4S/c1-18-6-8-29(9-7-18)25(31)16-33-26(32)22-4-2-3-5-23(22)34-17-24(30)28-27-13-19-10-20(14-27)12-21(11-19)15-27/h2-5,18-21H,6-17H2,1H3,(H,28,30)