1-[3-cyanopropyl-(phenylmethyl)amino]pentan-3-yl methanesulfonate

Systemtic Name: 1-[3-cyanopropyl-(phenylmethyl)amino]pentan-3-yl methanesulfonate Openeye Name: [3-[benzyl(3-cyanopropyl)amino]-1-ethyl-propyl] methanesulfonate CAS Name: methanesulfonic acid 1-[3-cyanopropyl-(phenylmethyl)amino]pentan-3-yl ester IUPAC Name: 1-[benzyl(3-cyanopropyl)amino]pentan-3-yl methanesulfonate Traditional Name: methanesulfonic acid [3-[benzyl(3-cyanopropyl)amino]-1-ethyl-propyl] ester Formula: C17H26N2O3S MolecularWeight: 338.46494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN(CCCC#N)CC1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CCC(CCN(CCCC#N)CC1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C17H26N2O3S/c1-3-17(22-23(2,20)21)11-14-19(13-8-7-12-18)15-16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11,13-15H2,1-2H3