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

Systemtic Name: [1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O7S2/c1-13(2)22-31(27,28)18-11-7-16(8-12-18)21-19(23)14(3)29-20(24)15-5-9-17(10-6-15)30(4,25)26/h5-14,22H,1-4H3,(H,21,23)