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

Systemtic Name: [5-[[heptanoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[heptanoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[1-oxoheptyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [5-[[heptanoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[enanthyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(C)C

Isomeric SMILES

CCCCCCC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(C)C

InChI

InChI=1S/C20H33NO5S/c1-6-8-9-10-11-20(22)21(16(3)4)15-17-12-13-18(25-5)19(14-17)26-27(23,24)7-2/h12-14,16H,6-11,15H2,1-5H3