[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H23ClN2O8S MolecularWeight: 498.93392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)OC

InChI

InChI=1S/C21H23ClN2O8S/c1-29-15-9-14(10-16(11-15)30-2)23-20(25)13-32-21(26)18-12-17(3-4-19(18)22)33(27,28)24-5-7-31-8-6-24/h3-4,9-12H,5-8,13H2,1-2H3,(H,23,25)