2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]isonicotinonitrile Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4S/c21-15-16-5-6-22-20(13-16)24-11-9-23(10-12-24)18-4-3-17(14-19(18)26(27)28)31(29,30)25-7-1-2-8-25/h3-6,13-14H,1-2,7-12H2