[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-methyl-3-(m-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(m-tolylsulfamoyl)benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC(C)C)C

InChI

InChI=1S/C21H26N2O5S/c1-14(2)12-22-20(24)13-28-21(25)17-9-8-16(4)19(11-17)29(26,27)23-18-7-5-6-15(3)10-18/h5-11,14,23H,12-13H2,1-4H3,(H,22,24)