[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C19H18FIN2O6S MolecularWeight: 548.323893

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C19H18FIN2O6S/c20-17-6-5-15(30(26,27)23-7-9-28-10-8-23)11-16(17)19(25)29-12-18(24)22-14-3-1-13(21)2-4-14/h1-6,11H,7-10,12H2,(H,22,24)