1-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-phenyl-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]tetrazol-5-one CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyltetrazol-5-one Traditional Name: 1-phenyl-4-[(4-tosylpiperazino)methyl]tetrazol-5-one Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H22N6O3S/c1-16-7-9-18(10-8-16)29(27,28)23-13-11-22(12-14-23)15-24-19(26)25(21-20-24)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3