4-[3-cyanopropyl-(phenylmethyl)amino]butan-2-yl methanesulfonate

Systemtic Name: 4-[3-cyanopropyl-(phenylmethyl)amino]butan-2-yl methanesulfonate Openeye Name: [3-[benzyl(3-cyanopropyl)amino]-1-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid 4-[3-cyanopropyl-(phenylmethyl)amino]butan-2-yl ester IUPAC Name: 4-[benzyl(3-cyanopropyl)amino]butan-2-yl methanesulfonate Traditional Name: methanesulfonic acid [3-[benzyl(3-cyanopropyl)amino]-1-methyl-propyl] ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3S/c1-15(21-22(2,19)20)10-13-18(12-7-6-11-17)14-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10,12-14H2,1-2H3