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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-(p-tolylsulfamoyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-(p-tolylsulfamoyl)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15(2)12-13-22-20(24)14-28-21(25)17-6-10-19(11-7-17)29(26,27)23-18-8-4-16(3)5-9-18/h4-11,15,23H,12-14H2,1-3H3,(H,22,24)