2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]isonicotinonitrile Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c1-17-3-2-8-27(16-17)33(31,32)19-4-5-20(21(14-19)28(29)30)25-9-11-26(12-10-25)22-13-18(15-23)6-7-24-22/h4-7,13-14,17H,2-3,8-12,16H2,1H3