[4-[[cyclohexylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[cyclohexylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[cyclohexylcarbamoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(cyclohexylamino)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclohexylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[cyclohexylcarbamoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)NC3CCCCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)NC3CCCCC3

InChI

InChI=1S/C20H30N2O5S/c1-28(24,25)27-18-11-9-16(10-12-18)14-22(15-19-8-5-13-26-19)20(23)21-17-6-3-2-4-7-17/h9-12,17,19H,2-8,13-15H2,1H3,(H,21,23)