2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]isonicotinonitrile Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C16H23N5O2S/c17-14-15-5-6-18-16(13-15)19-9-11-21(12-10-19)24(22,23)20-7-3-1-2-4-8-20/h5-6,13H,1-4,7-12H2