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

Systemtic Name: [3-[[(3,4-dichlorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3,4-dichlorobenzoyl)-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3,4-dichlorobenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3,4-dichlorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C18H19Cl2NO4S MolecularWeight: 416.31876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H19Cl2NO4S/c1-12(2)21(18(22)14-7-8-16(19)17(20)10-14)11-13-5-4-6-15(9-13)25-26(3,23)24/h4-10,12H,11H2,1-3H3