6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(azepan-1-ylsulfonyl)piperazino]nicotinonitrile Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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