[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(methylsulfinylmethyl)benzoate

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)CS(=O)C

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)CS(=O)C

InChI

InChI=1S/C22H26N2O5S/c1-15(2)12-23-21(26)18-9-4-5-10-19(18)24-20(25)13-29-22(27)17-8-6-7-16(11-17)14-30(3)28/h4-11,15H,12-14H2,1-3H3,(H,23,26)(H,24,25)