N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-fluoro-benzothiophene-2-carboxamide Formula: C22H23FN2O4S2 MolecularWeight: 462.557423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C22H23FN2O4S2/c1-29-19-10-9-15(31(27,28)25-11-4-2-3-5-12-25)13-18(19)24-22(26)21-14-16-17(23)7-6-8-20(16)30-21/h6-10,13-14H,2-5,11-12H2,1H3,(H,24,26)