[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-methyl-5-(m-tolylsulfamoyl)benzoate CAS Name: 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 2-methyl-5-(m-tolylsulfamoyl)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-15(2)10-11-23-21(25)14-29-22(26)20-13-19(9-8-17(20)4)30(27,28)24-18-7-5-6-16(3)12-18/h5-9,12-13,15,24H,10-11,14H2,1-4H3,(H,23,25)