2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-4-(1-methylpiperidin-2-yl)-1,3-dithiane-2-carboxylate

Systemtic Name: 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-4-(1-methylpiperidin-2-yl)-1,3-dithiane-2-carboxylate Openeye Name: 2-[1-(benzyloxycarbonylamino)-2-cyclohexyl-ethyl]-4-(1-methyl-2-piperidyl)-1,3-dithiane-2-carboxylate CAS Name: 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-4-(1-methyl-2-piperidinyl)-1,3-dithiane-2-carboxylate IUPAC Name: 2-[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-4-(1-methylpiperidin-2-yl)-1,3-dithiane-2-carboxylate Traditional Name: 2-[1-(benzyloxycarbonylamino)-2-cyclohexyl-ethyl]-4-(1-methyl-2-piperidyl)-1,3-dithiane-2-carboxylate Formula: C27H39N2O4S2- MolecularWeight: 519.73956

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1C2CCSC(S2)(C(CC3CCCCC3)NC(=O)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CN1CCCCC1C2CCSC(S2)(C(CC3CCCCC3)NC(=O)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C27H40N2O4S2/c1-29-16-9-8-14-22(29)23-15-17-34-27(35-23,25(30)31)24(18-20-10-4-2-5-11-20)28-26(32)33-19-21-12-6-3-7-13-21/h3,6-7,12-13,20,22-24H,2,4-5,8-11,14-19H2,1H3,(H,28,32)(H,30,31)/p-1