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

Systemtic Name: [4-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(cyclohexylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(CCOC)C(=O)NC2CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O5S/c1-3-27(23,24)26-18-11-9-16(10-12-18)15-21(13-14-25-2)19(22)20-17-7-5-4-6-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,20,22)