[4-[[(3,4-dichlorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(3,4-dichlorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(3,4-dichlorobenzoyl)-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(3,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(3,4-dichlorobenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(3,4-dichlorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C19H21Cl2NO4S MolecularWeight: 430.34534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H21Cl2NO4S/c1-4-27(24,25)26-16-8-5-14(6-9-16)12-22(13(2)3)19(23)15-7-10-17(20)18(21)11-15/h5-11,13H,4,12H2,1-3H3