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

Systemtic Name: [3-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[isovaleryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO5S/c1-14(2)11-18(20)19(9-10-23-5)13-16-7-6-8-17(12-16)24-25(21,22)15(3)4/h6-8,12,14-15H,9-11,13H2,1-5H3