2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]-6-fluoro-benzonitrile Formula: C23H26FN5O4S MolecularWeight: 487.547043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H26FN5O4S/c24-20-6-5-7-21(19(20)17-25)26-12-14-27(15-13-26)22-9-8-18(16-23(22)29(30)31)34(32,33)28-10-3-1-2-4-11-28/h5-9,16H,1-4,10-15H2