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

Systemtic Name: [5-[[cyclopropyl(propan-2-ylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[cyclopropyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[cyclopropyl(propan-2-ylcarbamoyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[cyclopropyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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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)C2CC2

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C2CC2

InChI

InChI=1S/C18H28N2O5S/c1-12(2)19-18(21)20(15-7-8-15)11-14-6-9-16(24-5)17(10-14)25-26(22,23)13(3)4/h6,9-10,12-13,15H,7-8,11H2,1-5H3,(H,19,21)