[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-5-13(2)17-8-6-7-9-19(17)23-20(24)15(4)28-21(25)18-12-16(29(22,26)27)11-10-14(18)3/h6-13,15H,5H2,1-4H3,(H,23,24)(H2,22,26,27)