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

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]isonicotinonitrile Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c23-17-18-7-8-24-22(15-18)26-13-11-25(12-14-26)20-6-5-19(16-21(20)28(29)30)33(31,32)27-9-3-1-2-4-10-27/h5-8,15-16H,1-4,9-14H2