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

Systemtic Name: [3-[[cyclohexylcarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclohexanecarbonyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[cyclohexyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclohexanecarbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclohexanecarbonyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2CCCCC2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2CCCCC2

InChI

InChI=1S/C20H31NO4S/c1-4-26(23,24)25-19-12-8-9-17(13-19)15-21(14-16(2)3)20(22)18-10-6-5-7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3