2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)benzonitrile CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)benzonitrile Traditional Name: 2-(4-benzylsulfonylpiperazino)benzonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c19-14-17-8-4-5-9-18(17)20-10-12-21(13-11-20)24(22,23)15-16-6-2-1-3-7-16/h1-9H,10-13,15H2