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

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-iodanyl-2-oxidanyl-benzoate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C19H19IN2O7S MolecularWeight: 546.33283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19IN2O7S/c20-13-1-6-17(23)16(11-13)19(25)29-12-18(24)21-14-2-4-15(5-3-14)30(26,27)22-7-9-28-10-8-22/h1-6,11,23H,7-10,12H2,(H,21,24)