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

Systemtic Name: [2-methoxy-5-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isobutyryl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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