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

Systemtic Name: [5-[[cyclobutylcarbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H29NO6S MolecularWeight: 399.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2CCC2)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2CCC2)OC

InChI

InChI=1S/C19H29NO6S/c1-14(2)27(22,23)26-18-12-15(8-9-17(18)25-4)13-20(10-11-24-3)19(21)16-6-5-7-16/h8-9,12,14,16H,5-7,10-11,13H2,1-4H3