3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O5S/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/h5-6,8-11,15H,1-4,7,12-14H2,(H,23,26)