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

Systemtic Name: 1-[[1-[(4-methylphenyl)sulfonylmethyl]-1,2,3,4-tetrazol-5-yl]-pyridin-3-yl-methyl]-4-phenyl-piperazine Openeye Name: 1-phenyl-4-[[1-(p-tolylsulfonylmethyl)tetrazol-5-yl]-(3-pyridyl)methyl]piperazine CAS Name: 1-[[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]-(3-pyridinyl)methyl]-4-phenylpiperazine IUPAC Name: 1-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]-pyridin-3-ylmethyl]-4-phenylpiperazine Traditional Name: 1-phenyl-4-[3-pyridyl-[1-(tosylmethyl)tetrazol-5-yl]methyl]piperazine Formula: C25H27N7O2S MolecularWeight: 489.59258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(C3=CN=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(C3=CN=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N7O2S/c1-20-9-11-23(12-10-20)35(33,34)19-32-25(27-28-29-32)24(21-6-5-13-26-18-21)31-16-14-30(15-17-31)22-7-3-2-4-8-22/h2-13,18,24H,14-17,19H2,1H3