2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-(4-brosylpiperazino)nicotinonitrile Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN4O2S/c17-14-3-5-15(6-4-14)24(22,23)21-10-8-20(9-11-21)16-13(12-18)2-1-7-19-16/h1-7H,8-11H2