[3-[[cyclohexylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[cyclohexylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclohexylcarbamoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(cyclohexylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclohexylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclohexylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2CCCCC2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2CCCCC2

InChI

InChI=1S/C20H32N2O4S/c1-4-27(24,25)26-19-12-8-9-17(13-19)15-22(14-16(2)3)20(23)21-18-10-6-5-7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23)