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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-[methyl(p-tolyl)sulfamoyl]benzoate CAS Name: 3-[methyl-(4-methylphenyl)sulfamoyl]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(p-tolyl)sulfamoyl]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=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC(C)C

InChI

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