3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(4-fluoranyl-3-nitro-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(4-fluoranyl-3-nitro-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluoro-3-nitro-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluoro-3-nitro-phenyl)benzamide Formula: C19H19ClFN3O5S MolecularWeight: 455.887663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClFN3O5S/c20-15-7-5-13(11-18(15)30(28,29)23-9-3-1-2-4-10-23)19(25)22-14-6-8-16(21)17(12-14)24(26)27/h5-8,11-12H,1-4,9-10H2,(H,22,25)