[5-[[cyclohexylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[cyclohexylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[cyclohexylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(cyclohexylamino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclohexylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[cyclohexylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC2CCCCC2

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NC2CCCCC2

InChI

InChI=1S/C19H30N2O5S/c1-14(2)21(19(22)20-16-8-6-5-7-9-16)13-15-10-11-17(25-3)18(12-15)26-27(4,23)24/h10-12,14,16H,5-9,13H2,1-4H3,(H,20,22)