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

Systemtic Name: [3-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(cyclohexylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O5S/c1-3-27(23,24)26-18-11-7-8-16(14-18)15-21(12-13-25-2)19(22)20-17-9-5-4-6-10-17/h7-8,11,14,17H,3-6,9-10,12-13,15H2,1-2H3,(H,20,22)