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

Systemtic Name: 4-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-chloro-4-nitro-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-chloro-4-nitro-benzoyl)piperazino]sulfonylbenzonitrile Formula: C18H15ClN4O5S MolecularWeight: 434.8535

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15ClN4O5S/c19-17-11-14(23(25)26)3-6-16(17)18(24)21-7-9-22(10-8-21)29(27,28)15-4-1-13(12-20)2-5-15/h1-6,11H,7-10H2