3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile; ethanedioic acid

Systemtic Name: 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile; ethanedioic acid Openeye Name: 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile; oxalic acid CAS Name: 3-[4-(2-bromophenyl)sulfonyl-1-piperazinyl]propanenitrile; oxalic acid IUPAC Name: 3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[4-(2-bromophenyl)sulfonylpiperazino]propionitrile; oxalic acid Formula: C15H18BrN3O6S MolecularWeight: 448.28892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)S(=O)(=O)C2=CC=CC=C2Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCC#N)S(=O)(=O)C2=CC=CC=C2Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16BrN3O2S.C2H2O4/c14-12-4-1-2-5-13(12)20(18,19)17-10-8-16(9-11-17)7-3-6-15;3-1(4)2(5)6/h1-2,4-5H,3,7-11H2;(H,3,4)(H,5,6)