2-[4-(piperazin-1-ylsulfonylmethyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-(piperazin-1-ylsulfonylmethyl)phenyl]benzenecarbonitrile Openeye Name: 2-[4-(piperazin-1-ylsulfonylmethyl)phenyl]benzonitrile CAS Name: 2-[4-(1-piperazinylsulfonylmethyl)phenyl]benzonitrile IUPAC Name: 2-[4-(piperazin-1-ylsulfonylmethyl)phenyl]benzonitrile Traditional Name: 2-[4-(piperazinosulfonylmethyl)phenyl]benzonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

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