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

Systemtic Name: [2-methoxy-5-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isopropyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[(2-methoxyacetyl)-propan-2-ylamino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isopropyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H27NO6S MolecularWeight: 373.46438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO6S/c1-12(2)18(17(19)11-22-5)10-14-7-8-15(23-6)16(9-14)24-25(20,21)13(3)4/h7-9,12-13H,10-11H2,1-6H3