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

Systemtic Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(4-mesyl-2-nitro-phenyl)piperazino]nicotinonitrile Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC=N3)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC=N3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-27(25,26)14-4-5-15(16(11-14)22(23)24)20-7-9-21(10-8-20)17-13(12-18)3-2-6-19-17/h2-6,11H,7-10H2,1H3