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

Systemtic Name: [5-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H32N2O5S MolecularWeight: 400.53278

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O5S/c1-13(2)21(18(22)20-19(5,6)7)12-15-9-10-16(25-8)17(11-15)26-27(23,24)14(3)4/h9-11,13-14H,12H2,1-8H3,(H,20,22)