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

Systemtic Name: [5-[[butan-2-yl(cyclohexylcarbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[cyclohexanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[cyclohexyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(cyclohexanecarbonyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[cyclohexanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H33NO5S MolecularWeight: 411.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2CCCCC2

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2CCCCC2

InChI

InChI=1S/C21H33NO5S/c1-5-16(3)22(21(23)18-10-8-7-9-11-18)15-17-12-13-19(26-4)20(14-17)27-28(24,25)6-2/h12-14,16,18H,5-11,15H2,1-4H3