[5-[[cyclohexylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[cyclohexylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclohexylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(cyclohexylamino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclohexylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclohexylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H32N2O5S MolecularWeight: 412.54348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O5S/c1-5-28(24,25)27-19-13-16(11-12-18(19)26-4)14-22(15(2)3)20(23)21-17-9-7-6-8-10-17/h11-13,15,17H,5-10,14H2,1-4H3,(H,21,23)