(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-fluoro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-3-nitro-phenyl)acrylamide Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O5S/c22-19-11-8-17(15-20(19)25(27)28)23-21(26)12-7-16-5-9-18(10-6-16)31(29,30)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14H2,(H,23,26)/b12-7+