[4-[[cyclohexylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[cyclohexylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[cyclohexylcarbamoyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(cyclohexylamino)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclohexylcarbamoyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[cyclohexylcarbamoyl(isoamyl)amino]methyl]phenyl] ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2CCCCC2

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2CCCCC2

InChI

InChI=1S/C20H32N2O4S/c1-16(2)13-14-22(20(23)21-18-7-5-4-6-8-18)15-17-9-11-19(12-10-17)26-27(3,24)25/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,21,23)