N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromanyl-2-fluoranyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromanyl-2-fluoranyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromo-2-fluoro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-bromo-2-fluorobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromo-2-fluorobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-bromo-2-fluoro-benzamide Formula: C19H20BrFN2O3S MolecularWeight: 455.341103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H20BrFN2O3S/c20-14-8-9-17(18(21)12-14)19(24)22-15-6-5-7-16(13-15)27(25,26)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11H2,(H,22,24)