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

Systemtic Name: 6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2-nitrophenyl)sulfonylpiperazino]nicotinonitrile Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O4S/c17-11-13-5-6-16(18-12-13)19-7-9-20(10-8-19)26(24,25)15-4-2-1-3-14(15)21(22)23/h1-6,12H,7-10H2