[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C20H23NO5S/c1-14(2)12-15-8-10-16(11-9-15)20(23)26-13-19(22)21-17-6-4-5-7-18(17)27(3,24)25/h4-11,14H,12-13H2,1-3H3,(H,21,22)