3-[(E)-2-piperazin-1-ylsulfonylethenyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[(E)-2-piperazin-1-ylsulfonylethenyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[(E)-2-piperazin-1-ylsulfonylvinyl]benzonitrile hydrochloride CAS Name: 3-[(E)-2-(1-piperazinylsulfonyl)ethenyl]benzonitrile hydrochloride IUPAC Name: 3-[(E)-2-piperazin-1-ylsulfonylethenyl]benzonitrile hydrochloride Traditional Name: 3-[(E)-2-piperazinosulfonylvinyl]benzonitrile hydrochloride Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C=CC2=CC=CC(=C2)C#N.Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)/C=C/C2=CC=CC(=C2)C#N.Cl

InChI

InChI=1S/C13H15N3O2S.ClH/c14-11-13-3-1-2-12(10-13)4-9-19(17,18)16-7-5-15-6-8-16;/h1-4,9-10,15H,5-8H2;1H/b9-4+;