N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3,4-tris(fluoranyl)benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3,4-trifluoro-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2,3,4-trifluorobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3,4-trifluorobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3,4-trifluoro-benzenesulfonamide Formula: C18H19F3N2O4S2 MolecularWeight: 448.47967

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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)F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N2O4S2/c19-15-9-10-16(18(21)17(15)20)28(24,25)22-13-5-7-14(8-6-13)29(26,27)23-11-3-1-2-4-12-23/h5-10,22H,1-4,11-12H2