N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: N-(4-fluoro-3-morpholinosulfonyl-phenyl)-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: N-(4-fluoro-3-morpholinosulfonyl-phenyl)-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)N4C=CC=C4)C

InChI

InChI=1S/C21H22FN3O4S2/c1-14-15(2)30-21(24-7-3-4-8-24)19(14)20(26)23-16-5-6-17(22)18(13-16)31(27,28)25-9-11-29-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,23,26)