[3-[3-cyanopropyl-(phenylmethyl)amino]-1-phenyl-propyl] methanesulfonate

Systemtic Name: [3-[3-cyanopropyl-(phenylmethyl)amino]-1-phenyl-propyl] methanesulfonate Openeye Name: [3-[benzyl(3-cyanopropyl)amino]-1-phenyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [3-[3-cyanopropyl-(phenylmethyl)amino]-1-phenylpropyl] ester IUPAC Name: [3-[benzyl(3-cyanopropyl)amino]-1-phenylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[benzyl(3-cyanopropyl)amino]-1-phenyl-propyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCN(CCCC#N)CC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC(CCN(CCCC#N)CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-27(24,25)26-21(20-12-6-3-7-13-20)14-17-23(16-9-8-15-22)18-19-10-4-2-5-11-19/h2-7,10-13,21H,8-9,14,16-18H2,1H3