[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(methylsulfamoyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate CAS Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)Cl

InChI

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