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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isobutyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isobutyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H32N2O5S MolecularWeight: 400.53278

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O5S/c1-13(2)11-21(19(22)20-14(3)4)12-16-8-9-17(25-7)18(10-16)26-27(23,24)15(5)6/h8-10,13-15H,11-12H2,1-7H3,(H,20,22)