[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C19H19BrN2O7S MolecularWeight: 499.33236

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C19H19BrN2O7S/c20-13-4-5-17(23)16(10-13)19(25)29-12-18(24)21-14-2-1-3-15(11-14)30(26,27)22-6-8-28-9-7-22/h1-5,10-11,23H,6-9,12H2,(H,21,24)