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

Systemtic Name: [2-methoxy-5-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[(2-methyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyryl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H27NO5S MolecularWeight: 357.46498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO5S/c1-7-24(20,21)23-16-10-14(8-9-15(16)22-6)11-18(13(4)5)17(19)12(2)3/h8-10,12-13H,7,11H2,1-6H3