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

Systemtic Name: [2-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [2-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-[[3,3-dimethylbutanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-[[3,3-dimethylbutanoyl(isopropyl)amino]methyl]phenyl] ester Formula: C19H31NO4S MolecularWeight: 369.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1OS(=O)(=O)C(C)C)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1OS(=O)(=O)C(C)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C19H31NO4S/c1-14(2)20(18(21)12-19(5,6)7)13-16-10-8-9-11-17(16)24-25(22,23)15(3)4/h8-11,14-15H,12-13H2,1-7H3