N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide Formula: C20H28FN3O3S MolecularWeight: 409.518023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNS(=O)(=O)C2=C(C=CC(=C2)F)OC)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNS(=O)(=O)C2=C(C=CC(=C2)F)OC)N3CCCCCC3

InChI

InChI=1S/C20H28FN3O3S/c1-23-11-7-8-17(23)18(24-12-5-3-4-6-13-24)15-22-28(25,26)20-14-16(21)9-10-19(20)27-2/h7-11,14,18,22H,3-6,12-13,15H2,1-2H3