[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C20H20ClNO7S MolecularWeight: 453.8933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C20H20ClNO7S/c1-27-19-5-3-2-4-15(19)18(23)13-29-20(24)16-12-14(6-7-17(16)21)30(25,26)22-8-10-28-11-9-22/h2-7,12H,8-11,13H2,1H3