azepan-1-yl-[4-[(2-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[(2-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone Openeye Name: azepan-1-yl-[4-[(2-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone CAS Name: 1-azepanyl-[4-[(2-fluorophenyl)methylsulfonyl]-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-[4-[(2-fluorophenyl)methylsulfonyl]-3-nitrophenyl]methanone Traditional Name: azepan-1-yl-[4-(2-fluorobenzyl)sulfonyl-3-nitro-phenyl]methanone Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN2O5S/c21-17-8-4-3-7-16(17)14-29(27,28)19-10-9-15(13-18(19)23(25)26)20(24)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12,14H2