methyl 1-(4-phenylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate

Systemtic Name: methyl 1-(4-phenylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate Openeye Name: methyl 1-[(4-phenylsulfanyl-1-piperidyl)sulfonyl]piperidine-2-carboxylate CAS Name: 1-[[4-(phenylthio)-1-piperidinyl]sulfonyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-phenylsulfanylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-[4-(phenylthio)piperidino]sulfonylpipecolinic acid methyl ester Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1S(=O)(=O)N2CCC(CC2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCCCN1S(=O)(=O)N2CCC(CC2)SC3=CC=CC=C3

InChI

InChI=1S/C18H26N2O4S2/c1-24-18(21)17-9-5-6-12-20(17)26(22,23)19-13-10-16(11-14-19)25-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3