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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepan-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(1-phenyl-5-tetrazolyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-[(1-phenyltetrazol-5-yl)methyl]-4-tosyl-1,4-diazepan-1-ium Formula: C20H25N6O2S+ MolecularWeight: 413.5165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H24N6O2S/c1-17-8-10-19(11-9-17)29(27,28)25-13-5-12-24(14-15-25)16-20-21-22-23-26(20)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3/p+1