[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H20FN3O6S MolecularWeight: 425.431303

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C18H20FN3O6S/c19-15-4-2-1-3-13(15)10-21-17(23)12-28-18(24)16-9-14(11-20-16)29(25,26)22-5-7-27-8-6-22/h1-4,9,11,20H,5-8,10,12H2,(H,21,23)