2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-bromophenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-bromobenzyl)piperazino]sulfonylbenzonitrile Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H18BrN3O2S/c19-17-7-5-15(6-8-17)14-21-9-11-22(12-10-21)25(23,24)18-4-2-1-3-16(18)13-20/h1-8H,9-12,14H2