6-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[(2-nitrophenyl)methylsulfonyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2-nitrobenzyl)sulfonylpiperazino]nicotinonitrile Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c18-11-14-5-6-17(19-12-14)20-7-9-21(10-8-20)27(25,26)13-15-3-1-2-4-16(15)22(23)24/h1-6,12H,7-10,13H2