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

Systemtic Name: [2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H25ClN2O5S/c1-21(2,3)15-8-6-14(7-9-15)20(26)29-13-19(25)23-16-10-11-17(22)18(12-16)30(27,28)24(4)5/h6-12H,13H2,1-5H3,(H,23,25)