2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5-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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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