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

Systemtic Name: [3-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[isopropyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[isopropyl(isovaleryl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4S/c1-13(2)10-18(20)19(14(3)4)12-16-8-7-9-17(11-16)23-24(21,22)15(5)6/h7-9,11,13-15H,10,12H2,1-6H3