4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-3-nitro-benzonitrile Formula: C17H14ClFN4O4S MolecularWeight: 424.833863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H14ClFN4O4S/c18-14-10-13(2-3-15(14)19)28(26,27)22-7-5-21(6-8-22)16-4-1-12(11-20)9-17(16)23(24)25/h1-4,9-10H,5-8H2