4-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(4-acetyl-2-nitro-phenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(4-acetyl-2-nitrophenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4-acetyl-2-nitrophenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-acetyl-2-nitro-phenyl)piperazino]sulfonylbenzonitrile Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O5S/c1-14(24)16-4-7-18(19(12-16)23(25)26)21-8-10-22(11-9-21)29(27,28)17-5-2-15(13-20)3-6-17/h2-7,12H,8-11H2,1H3