[4-[[butyl-(3,4-dichlorophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-(3,4-dichlorophenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-(3,4-dichlorobenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(3,4-dichlorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(3,4-dichlorobenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-(3,4-dichlorobenzoyl)amino]methyl]phenyl] ester Formula: C19H21Cl2NO4S MolecularWeight: 430.34534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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