[2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C18H19ClN2O7S2 MolecularWeight: 474.93566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H19ClN2O7S2/c1-21(2)30(26,27)16-10-13(7-8-15(16)19)20-17(22)11-28-18(23)12-5-4-6-14(9-12)29(3,24)25/h4-10H,11H2,1-3H3,(H,20,22)