4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile Traditional Name: 4-[2-[4-(3-nitrophenyl)sulfonylpiperazino]ethoxy]benzonitrile Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c20-15-16-4-6-18(7-5-16)28-13-12-21-8-10-22(11-9-21)29(26,27)19-3-1-2-17(14-19)23(24)25/h1-7,14H,8-13H2