3-[[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylmethyl]benzonitrile CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonylmethyl]benzonitrile IUPAC Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylmethyl]benzonitrile Traditional Name: 3-[[4-(2-hydroxyethyl)piperazino]sulfonylmethyl]benzonitrile Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)S(=O)(=O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCN1CCO)S(=O)(=O)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H19N3O3S/c15-11-13-2-1-3-14(10-13)12-21(19,20)17-6-4-16(5-7-17)8-9-18/h1-3,10,18H,4-9,12H2