2-bromanyl-5-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[4-(2-cyanophenyl)sulfonylpiperazino]sulfonyl-benzoic acid Formula: C18H16BrN3O6S2 MolecularWeight: 514.37014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H16BrN3O6S2/c19-16-6-5-14(11-15(16)18(23)24)29(25,26)21-7-9-22(10-8-21)30(27,28)17-4-2-1-3-13(17)12-20/h1-6,11H,7-10H2,(H,23,24)