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

Systemtic Name: [5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[(cyclopropylamino)methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[(cyclopropylamino)methyl]-2-methoxy-phenyl] ester Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CNC2CC2)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CNC2CC2)OC

InChI

InChI=1S/C14H21NO4S/c1-10(2)20(16,17)19-14-8-11(4-7-13(14)18-3)9-15-12-5-6-12/h4,7-8,10,12,15H,5-6,9H2,1-3H3