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

Systemtic Name: [2-methoxy-5-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[(2-methyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO5S/c1-7-25(21,22)24-17-10-15(8-9-16(17)23-6)12-19(11-13(2)3)18(20)14(4)5/h8-10,13-14H,7,11-12H2,1-6H3