2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]isonicotinonitrile Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c22-16-17-6-7-23-21(14-17)25-12-10-24(11-13-25)19-5-4-18(15-20(19)27(28)29)32(30,31)26-8-2-1-3-9-26/h4-7,14-15H,1-3,8-13H2