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

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-chloro-4-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)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

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

InChI

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