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

Systemtic Name: [4-[(cyclopropylamino)methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[(cyclopropylamino)methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[(cyclopropylamino)methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[(cyclopropylamino)methyl]phenyl] ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-10(2)18(15,16)17-13-7-3-11(4-8-13)9-14-12-5-6-12/h3-4,7-8,10,12,14H,5-6,9H2,1-2H3