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

Systemtic Name: 1-phenyl-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-4-phenyl-tetrazol-5-one Formula: C18H21N6O3S+ MolecularWeight: 401.46274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O3S/c25-18-23(19-20-24(18)16-7-3-1-4-8-16)15-21-11-13-22(14-12-21)28(26,27)17-9-5-2-6-10-17/h1-10H,11-15H2/p+1