[4-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[isobutyryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C17H27NO5S MolecularWeight: 357.46498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO5S/c1-13(2)17(19)18(10-11-22-5)12-15-6-8-16(9-7-15)23-24(20,21)14(3)4/h6-9,13-14H,10-12H2,1-5H3