4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-(4-brosylpiperazine-1-carbonyl)benzonitrile Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3S/c19-16-5-7-17(8-6-16)26(24,25)22-11-9-21(10-12-22)18(23)15-3-1-14(13-20)2-4-15/h1-8H,9-12H2