4-[[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]methyl]benzonitrile Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c23-16-18-1-3-19(4-2-18)17-24-7-9-25(10-8-24)21-6-5-20(15-22(21)27(28)29)33(30,31)26-11-13-32-14-12-26/h1-6,15H,7-14,17H2