[2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[(isobutylamino)methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[(2-methylpropylamino)methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[(isobutylamino)methyl]-2-methoxy-phenyl] ester Formula: C15H25NO4S MolecularWeight: 315.4283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO4S/c1-11(2)9-16-10-13-6-7-14(19-5)15(8-13)20-21(17,18)12(3)4/h6-8,11-12,16H,9-10H2,1-5H3