[4-chloranyl-2-[(2-dimethylaminoethylamino)methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[(2-dimethylaminoethylamino)methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[(2-dimethylaminoethylamino)methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[(2-dimethylaminoethylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(2-dimethylaminoethylamino)methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[(2-dimethylaminoethylamino)methyl]phenyl] ester Formula: C13H21ClN2O3S MolecularWeight: 320.83544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CNCCN(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CNCCN(C)C

InChI

InChI=1S/C13H21ClN2O3S/c1-4-20(17,18)19-13-6-5-12(14)9-11(13)10-15-7-8-16(2)3/h5-6,9,15H,4,7-8,10H2,1-3H3