6-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 6-[4-(5-isoquinolylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(5-isoquinolinylsulfonyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)pyridine-3-carbonitrile Traditional Name: 6-[4-(5-isoquinolylsulfonyl)piperazino]nicotinonitrile Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C19H17N5O2S/c20-12-15-4-5-19(22-13-15)23-8-10-24(11-9-23)27(25,26)18-3-1-2-16-14-21-7-6-17(16)18/h1-7,13-14H,8-11H2