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

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 2-hydroxy-5-morpholinosulfonyl-benzoate CAS Name: 2-hydroxy-5-(4-morpholinylsulfonyl)benzoic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-morpholinosulfonyl-benzoic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H24N2O9S MolecularWeight: 480.48826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O9S/c1-29-14-3-6-19(30-2)17(11-14)22-20(25)13-32-21(26)16-12-15(4-5-18(16)24)33(27,28)23-7-9-31-10-8-23/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,22,25)