N-(4-bromanyl-2-fluoranyl-phenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-methyl-5-(1-piperidylsulfonyl)benzofuran-2-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-methyl-5-(1-piperidinylsulfonyl)-2-benzofurancarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-methyl-5-piperidinosulfonyl-coumarilamide Formula: C21H20BrFN2O4S MolecularWeight: 495.361903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H20BrFN2O4S/c1-13-16-12-15(30(27,28)25-9-3-2-4-10-25)6-8-19(16)29-20(13)21(26)24-18-7-5-14(22)11-17(18)23/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,26)