[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

InChI=1S/C25H25NO5S/c1-17-12-13-18(2)22(14-17)26-24(27)23(20-9-5-4-6-10-20)31-25(28)21-11-7-8-19(15-21)16-32(3,29)30/h4-15,23H,16H2,1-3H3,(H,26,27)