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

Systemtic Name: 6-[4-(2-oxidanylidenepropylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-acetonylsulfonylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 6-[4-(2-oxopropylsulfonyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(2-oxopropylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-(4-acetonylsulfonylpiperazino)nicotinonitrile Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CS(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)C#N

Isomeric SMILES

CC(=O)CS(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)C#N

InChI

InChI=1S/C13H16N4O3S/c1-11(18)10-21(19,20)17-6-4-16(5-7-17)13-3-2-12(8-14)9-15-13/h2-3,9H,4-7,10H2,1H3