[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 2-(2-chloranyl-5-methyl-phenoxy)ethanoate

Systemtic Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 2-(2-chloranyl-5-methyl-phenoxy)ethanoate Openeye Name: [2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl] 2-(2-chloro-5-methyl-phenoxy)acetate CAS Name: 2-(2-chloro-5-methylphenoxy)acetic acid [2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate Traditional Name: 2-(2-chloro-5-methyl-phenoxy)acetic acid [2-keto-2-(4-morpholinosulfonylphenyl)ethyl] ester Formula: C21H22ClNO7S MolecularWeight: 467.91988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO7S/c1-15-2-7-18(22)20(12-15)29-14-21(25)30-13-19(24)16-3-5-17(6-4-16)31(26,27)23-8-10-28-11-9-23/h2-7,12H,8-11,13-14H2,1H3