[3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H31NO5S MolecularWeight: 385.51814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO5S/c1-15(2)26(22,23)25-17-9-7-8-16(12-17)14-20(10-11-24-6)18(21)13-19(3,4)5/h7-9,12,15H,10-11,13-14H2,1-6H3