[4-[(2-methylpropylamino)methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[(2-methylpropylamino)methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[(isobutylamino)methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[(2-methylpropylamino)methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[(isobutylamino)methyl]phenyl] ester Formula: C14H23NO3S MolecularWeight: 285.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC=C(C=C1)OS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CNCC1=CC=C(C=C1)OS(=O)(=O)C(C)C

InChI

InChI=1S/C14H23NO3S/c1-11(2)9-15-10-13-5-7-14(8-6-13)18-19(16,17)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3