N-[2-(azepan-1-ylcarbonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-1-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c24-20(22-12-5-1-2-6-13-22)18-10-3-4-11-19(18)21-29(27,28)15-16-8-7-9-17(14-16)23(25)26/h3-4,7-11,14,21H,1-2,5-6,12-13,15H2