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

Systemtic Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[(isopropylamino)methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[(propan-2-ylamino)methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[(isopropylamino)methyl]-2-methoxy-phenyl] ester Formula: C14H23NO4S MolecularWeight: 301.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)NCC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C

InChI

InChI=1S/C14H23NO4S/c1-10(2)15-9-12-6-7-13(18-5)14(8-12)19-20(16,17)11(3)4/h6-8,10-11,15H,9H2,1-5H3