N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-fluorobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-fluoro-benzamide Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H23FN2O4S/c1-27-19-11-10-15(28(25,26)23-12-6-2-3-7-13-23)14-18(19)22-20(24)16-8-4-5-9-17(16)21/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,24)