[4-[[cyclopentylcarbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[cyclopentylcarbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(cyclopentanecarbonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[cyclopentyl(oxo)methyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(cyclopentanecarbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(cyclopentanecarbonyl)amino]methyl]phenyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3CCCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3CCCC3

InChI

InChI=1S/C21H25NO4S/c1-27(24,25)26-20-13-11-18(12-14-20)16-22(15-17-7-3-2-4-8-17)21(23)19-9-5-6-10-19/h2-4,7-8,11-14,19H,5-6,9-10,15-16H2,1H3