2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazino]sulfonylbenzonitrile Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H15ClN4O4S/c18-14-5-6-15(16(11-14)22(23)24)20-7-9-21(10-8-20)27(25,26)17-4-2-1-3-13(17)12-19/h1-6,11H,7-10H2