[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C21H24ClNO7S MolecularWeight: 469.93576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)OCC

InChI

InChI=1S/C21H24ClNO7S/c1-4-10-29-20-17(22)11-14(12-18(20)28-5-2)21(25)30-13-19(24)23-15-6-8-16(9-7-15)31(3,26)27/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,24)