1-(3-bromophenyl)sulfonyl-4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-bromophenyl)sulfonyl-4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(3-bromophenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium CAS Name: 1-(3-bromophenyl)sulfonyl-4-[(5-phenyl-2-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-bromophenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromophenyl)sulfonyl-4-[(5-phenyltetrazol-2-yl)methyl]piperazin-4-ium Formula: C18H20BrN6O2S+ MolecularWeight: 464.3594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2N=C(N=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CN2N=C(N=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C18H19BrN6O2S/c19-16-7-4-8-17(13-16)28(26,27)24-11-9-23(10-12-24)14-25-21-18(20-22-25)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1