6-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylpiperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]carbonylpiperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbonyl]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbonyl]piperidino]nicotinonitrile Formula: C23H26N6O5S MolecularWeight: 498.55474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O5S/c1-35(33,34)19-3-4-20(21(14-19)29(31)32)26-10-12-28(13-11-26)23(30)18-6-8-27(9-7-18)22-5-2-17(15-24)16-25-22/h2-5,14,16,18H,6-13H2,1H3