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

Systemtic Name: 1-methyl-4-[[1-[(4-methylphenyl)sulfonylmethyl]-1,2,3,4-tetrazol-5-yl]-phenyl-methyl]piperazine Openeye Name: 1-methyl-4-[phenyl-[1-(p-tolylsulfonylmethyl)tetrazol-5-yl]methyl]piperazine CAS Name: 1-methyl-4-[[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]-phenylmethyl]piperazine IUPAC Name: 1-methyl-4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]-phenylmethyl]piperazine Traditional Name: 1-methyl-4-[phenyl-[1-(tosylmethyl)tetrazol-5-yl]methyl]piperazine Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(C3=CC=CC=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(C3=CC=CC=C3)N4CCN(CC4)C

InChI

InChI=1S/C21H26N6O2S/c1-17-8-10-19(11-9-17)30(28,29)16-27-21(22-23-24-27)20(18-6-4-3-5-7-18)26-14-12-25(2)13-15-26/h3-11,20H,12-16H2,1-2H3