[4-[[3-cyclopentylpropanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-cyclopentylpropanoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(3-cyclopentylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(3-cyclopentyl-1-oxopropyl)-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(3-cyclopentylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(3-cyclopentylpropanoyl)amino]methyl]phenyl] ester Formula: C23H29NO4S MolecularWeight: 415.54566

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)CCC3CCCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC3CCCC3

InChI

InChI=1S/C23H29NO4S/c1-29(26,27)28-22-14-11-21(12-15-22)18-24(17-20-9-3-2-4-10-20)23(25)16-13-19-7-5-6-8-19/h2-4,9-12,14-15,19H,5-8,13,16-18H2,1H3