[2-methoxy-5-[[2-methoxyethanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isobutyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[(2-methoxyacetyl)-(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isobutyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H29NO6S MolecularWeight: 387.49096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)COC

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)COC

InChI

InChI=1S/C18H29NO6S/c1-13(2)10-19(18(20)12-23-5)11-15-7-8-16(24-6)17(9-15)25-26(21,22)14(3)4/h7-9,13-14H,10-12H2,1-6H3