[1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-[3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O7S2 MolecularWeight: 454.51718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O7S2/c1-13(28-19(23)14-8-10-16(11-9-14)29(4,24)25)18(22)20-15-6-5-7-17(12-15)30(26,27)21(2)3/h5-13H,1-4H3,(H,20,22)