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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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