[3-[2-cyanoethyl-(phenylmethyl)amino]-2-methylsulfonyloxy-propyl] methanesulfonate

Systemtic Name: [3-[2-cyanoethyl-(phenylmethyl)amino]-2-methylsulfonyloxy-propyl] methanesulfonate Openeye Name: [3-[benzyl(2-cyanoethyl)amino]-2-methylsulfonyloxy-propyl] methanesulfonate CAS Name: methanesulfonic acid [3-[2-cyanoethyl-(phenylmethyl)amino]-2-methylsulfonyloxypropyl] ester IUPAC Name: [3-[benzyl(2-cyanoethyl)amino]-2-methylsulfonyloxypropyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[benzyl(2-cyanoethyl)amino]-2-methylsulfonyloxy-propyl] ester Formula: C15H22N2O6S2 MolecularWeight: 390.47498

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(CN(CCC#N)CC1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCC(CN(CCC#N)CC1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C15H22N2O6S2/c1-24(18,19)22-13-15(23-25(2,20)21)12-17(10-6-9-16)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,10-13H2,1-2H3