3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-28-19-6-5-17(12-18(19)23(24)25)29(26,27)22-9-7-21(8-10-22)14-16-4-2-3-15(11-16)13-20/h2-6,11-12H,7-10,14H2,1H3