[2-[2-[3-(cyclohexylcarbamoyl)pyridin-2-yl]sulfanylethyl]phenyl] methanesulfonate

Systemtic Name: [2-[2-[3-(cyclohexylcarbamoyl)pyridin-2-yl]sulfanylethyl]phenyl] methanesulfonate Openeye Name: [2-[2-[[3-(cyclohexylcarbamoyl)-2-pyridyl]sulfanyl]ethyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[2-[[3-[(cyclohexylamino)-oxomethyl]-2-pyridinyl]thio]ethyl]phenyl] ester IUPAC Name: [2-[2-[3-(cyclohexylcarbamoyl)pyridin-2-yl]sulfanylethyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[2-[[3-(cyclohexylcarbamoyl)-2-pyridyl]thio]ethyl]phenyl] ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC=C1CCSC2=C(C=CC=N2)C(=O)NC3CCCCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC=C1CCSC2=C(C=CC=N2)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-29(25,26)27-19-12-6-5-8-16(19)13-15-28-21-18(11-7-14-22-21)20(24)23-17-9-3-2-4-10-17/h5-8,11-12,14,17H,2-4,9-10,13,15H2,1H3,(H,23,24)