[4-acetamido-3-(3,4-dichlorophenyl)butyl] methanesulfonate

Systemtic Name: [4-acetamido-3-(3,4-dichlorophenyl)butyl] methanesulfonate Openeye Name: [4-acetamido-3-(3,4-dichlorophenyl)butyl] methanesulfonate CAS Name: methanesulfonic acid [4-acetamido-3-(3,4-dichlorophenyl)butyl] ester IUPAC Name: [4-acetamido-3-(3,4-dichlorophenyl)butyl] methanesulfonate Traditional Name: methanesulfonic acid [4-acetamido-3-(3,4-dichlorophenyl)butyl] ester Formula: C13H17Cl2NO4S MolecularWeight: 354.24938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(CCOS(=O)(=O)C)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(=O)NCC(CCOS(=O)(=O)C)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H17Cl2NO4S/c1-9(17)16-8-11(5-6-20-21(2,18)19)10-3-4-12(14)13(15)7-10/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17)