6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-(4-brosylpiperazino)nicotinonitrile Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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