azepan-1-yl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone Openeye Name: azepan-1-yl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone CAS Name: 1-azepanyl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]methanone Traditional Name: azepan-1-yl-[4-(3-fluorobenzyl)sulfonyl-3-nitro-phenyl]methanone Formula: C20H21FN2O5S MolecularWeight: 420.454543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O5S/c21-17-7-5-6-15(12-17)14-29(27,28)19-9-8-16(13-18(19)23(25)26)20(24)22-10-3-1-2-4-11-22/h5-9,12-13H,1-4,10-11,14H2