2-piperazin-1-ylsulfonyl-3-(pyrimidin-2-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-piperazin-1-ylsulfonyl-3-(pyrimidin-2-ylmethyl)benzenecarbonitrile Openeye Name: 2-piperazin-1-ylsulfonyl-3-(pyrimidin-2-ylmethyl)benzonitrile CAS Name: 2-(1-piperazinylsulfonyl)-3-(2-pyrimidinylmethyl)benzonitrile IUPAC Name: 2-piperazin-1-ylsulfonyl-3-(pyrimidin-2-ylmethyl)benzonitrile Traditional Name: 2-piperazinosulfonyl-3-(2-pyrimidylmethyl)benzonitrile Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=C(C=CC=C2CC3=NC=CC=N3)C#N

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=C(C=CC=C2CC3=NC=CC=N3)C#N

InChI

InChI=1S/C16H17N5O2S/c17-12-14-4-1-3-13(11-15-19-5-2-6-20-15)16(14)24(22,23)21-9-7-18-8-10-21/h1-6,18H,7-11H2