4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitro-benzonitrile Formula: C18H17FN4O4S MolecularWeight: 404.415383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O4S/c19-15-3-5-16(6-4-15)28(26,27)22-9-1-8-21(10-11-22)17-7-2-14(13-20)12-18(17)23(24)25/h2-7,12H,1,8-11H2