[3-[(propan-2-ylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[(propan-2-ylamino)methyl]phenyl] ethanesulfonate Openeye Name: [3-[(isopropylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [3-[(propan-2-ylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[(isopropylamino)methyl]phenyl] ester Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3S/c1-4-17(14,15)16-12-7-5-6-11(8-12)9-13-10(2)3/h5-8,10,13H,4,9H2,1-3H3