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

Systemtic Name: [5-[[cyclohexylcarbonyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclohexanecarbonyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[cyclohexyl(oxo)methyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclohexanecarbonyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclohexanecarbonyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO5S/c1-5-27(23,24)26-19-13-16(11-12-18(19)25-4)14-21(15(2)3)20(22)17-9-7-6-8-10-17/h11-13,15,17H,5-10,14H2,1-4H3