[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(2-methoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[2-methoxy-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-(2-methoxy-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C20H21BrN2O8S MolecularWeight: 529.35834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H21BrN2O8S/c1-29-18-5-3-14(32(27,28)23-6-8-30-9-7-23)11-16(18)22-19(25)12-31-20(26)15-10-13(21)2-4-17(15)24/h2-5,10-11,24H,6-9,12H2,1H3,(H,22,25)