[1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: [1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)C

InChI

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