[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H17BrFN3O6S MolecularWeight: 490.300783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H17BrFN3O6S/c18-11-1-2-14(13(19)7-11)21-16(23)10-28-17(24)15-8-12(9-20-15)29(25,26)22-3-5-27-6-4-22/h1-2,7-9,20H,3-6,10H2,(H,21,23)