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

Systemtic Name: [2-methoxy-5-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isopropyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isopropyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H30N2O5S MolecularWeight: 386.5062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O5S/c1-12(2)19-18(21)20(13(3)4)11-15-8-9-16(24-7)17(10-15)25-26(22,23)14(5)6/h8-10,12-14H,11H2,1-7H3,(H,19,21)