[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: (4-brosylpiperazino)-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C16H16BrN3O4S MolecularWeight: 426.28494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C[N+](=CC=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C(=O)C2=C[N+](=CC=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H16BrN3O4S/c17-14-3-5-15(6-4-14)25(23,24)20-10-8-18(9-11-20)16(21)13-2-1-7-19(22)12-13/h1-7,12H,8-11H2