N-[4-(azepan-1-ylsulfonyl)phenyl]-4-fluoranyl-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-fluoranyl-2-nitro-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-fluoro-2-nitro-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-fluoro-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-fluoro-2-nitrobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-fluoro-2-nitro-benzenesulfonamide Formula: C18H20FN3O6S2 MolecularWeight: 457.496303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O6S2/c19-14-5-10-18(17(13-14)22(23)24)29(25,26)20-15-6-8-16(9-7-15)30(27,28)21-11-3-1-2-4-12-21/h5-10,13,20H,1-4,11-12H2