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

Systemtic Name: [4-[[cyclohexylcarbonyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl(cyclohexanecarbonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[cyclohexyl(oxo)methyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl(cyclohexanecarbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl(cyclohexanecarbonyl)amino]methyl]phenyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3CCCCC3

InChI

InChI=1S/C22H27NO4S/c1-28(25,26)27-21-14-12-19(13-15-21)17-23(16-18-8-4-2-5-9-18)22(24)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16-17H2,1H3