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

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H30N2O6S MolecularWeight: 402.5056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O6S/c1-13(2)19-18(21)20(9-10-24-5)12-15-7-8-16(25-6)17(11-15)26-27(22,23)14(3)4/h7-8,11,13-14H,9-10,12H2,1-6H3,(H,19,21)