[4-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[isobutyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[isobutyl(isovaleryl)amino]methyl]phenyl] ester Formula: C19H31NO4S MolecularWeight: 369.51874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO4S/c1-14(2)11-19(21)20(12-15(3)4)13-17-7-9-18(10-8-17)24-25(22,23)16(5)6/h7-10,14-16H,11-13H2,1-6H3