4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(4-cyanophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(4-cyanophenyl)sulfonylpiperazino]-3-nitro-benzonitrile Formula: C18H15N5O4S MolecularWeight: 397.4078

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O4S/c19-12-14-1-4-16(5-2-14)28(26,27)22-9-7-21(8-10-22)17-6-3-15(13-20)11-18(17)23(24)25/h1-6,11H,7-10H2