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

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C20H22ClNO7S MolecularWeight: 455.90918

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO7S/c1-4-9-28-19-16(21)10-13(11-17(19)27-2)20(24)29-12-18(23)22-14-5-7-15(8-6-14)30(3,25)26/h5-8,10-11H,4,9,12H2,1-3H3,(H,22,23)