2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]piperazino]isonicotinonitrile Formula: C21H25N7O4S MolecularWeight: 471.5327

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O4S/c1-24-6-12-27(13-7-24)33(31,32)18-2-3-19(20(15-18)28(29)30)25-8-10-26(11-9-25)21-14-17(16-22)4-5-23-21/h2-5,14-15H,6-13H2,1H3