N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoro-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-fluorobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-fluorobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-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=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4S/c1-27-19-10-9-17(28(25,26)23-11-4-2-3-5-12-23)14-18(19)22-20(24)15-7-6-8-16(21)13-15/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24)