4-[4-(phenylsulfonyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-(4-besylpiperazine-1-carbonyl)benzonitrile Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c19-14-15-6-8-16(9-7-15)18(22)20-10-12-21(13-11-20)25(23,24)17-4-2-1-3-5-17/h1-9H,10-13H2