[4-[2,2-bis(chloranyl)ethanoyl-methyl-amino]phenyl] 4-methylsulfonylbenzoate

Systemtic Name: [4-[2,2-bis(chloranyl)ethanoyl-methyl-amino]phenyl] 4-methylsulfonylbenzoate Openeye Name: [4-[(2,2-dichloroacetyl)-methyl-amino]phenyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [4-[(2,2-dichloro-1-oxoethyl)-methylamino]phenyl] ester IUPAC Name: [4-[(2,2-dichloroacetyl)-methylamino]phenyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [4-[(2,2-dichloroacetyl)-methyl-amino]phenyl] ester Formula: C17H15Cl2NO5S MolecularWeight: 416.2757

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)C(Cl)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)C(Cl)Cl

InChI

InChI=1S/C17H15Cl2NO5S/c1-20(16(21)15(18)19)12-5-7-13(8-6-12)25-17(22)11-3-9-14(10-4-11)26(2,23)24/h3-10,15H,1-2H3