2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-yl)-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-nitropyridine-3-carbonitrile Traditional Name: 2-(4-indan-5-ylsulfonylpiperazino)-5-nitro-nicotinonitrile Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=C(C=C4C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=C(C=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c20-12-16-10-17(24(25)26)13-21-19(16)22-6-8-23(9-7-22)29(27,28)18-5-4-14-2-1-3-15(14)11-18/h4-5,10-11,13H,1-3,6-9H2