[4-[(cyclopropylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[(cyclopropylamino)methyl]phenyl] ethanesulfonate Openeye Name: [4-[(cyclopropylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[(cyclopropylamino)methyl]phenyl] ester IUPAC Name: [4-[(cyclopropylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[(cyclopropylamino)methyl]phenyl] ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S/c1-2-17(14,15)16-12-7-3-10(4-8-12)9-13-11-5-6-11/h3-4,7-8,11,13H,2,5-6,9H2,1H3