[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2,4-dichloroanilino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(2,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichloroanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(2,4-dichloroanilino)-2-keto-ethyl] ester Formula: C20H20Cl2N2O6S MolecularWeight: 487.3536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H20Cl2N2O6S/c1-13-2-3-14(10-18(13)31(27,28)24-6-8-29-9-7-24)20(26)30-12-19(25)23-17-5-4-15(21)11-16(17)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,25)