4-(piperazin-1-ylsulfonylmethyl)benzenecarbonitrile

Systemtic Name: 4-(piperazin-1-ylsulfonylmethyl)benzenecarbonitrile Openeye Name: 4-(piperazin-1-ylsulfonylmethyl)benzonitrile CAS Name: 4-(1-piperazinylsulfonylmethyl)benzonitrile IUPAC Name: 4-(piperazin-1-ylsulfonylmethyl)benzonitrile Traditional Name: 4-(piperazinosulfonylmethyl)benzonitrile Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S/c13-9-11-1-3-12(4-2-11)10-18(16,17)15-7-5-14-6-8-15/h1-4,14H,5-8,10H2