(4-methylsulfonylpiperazin-1-yl)-[3-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: (4-methylsulfonylpiperazin-1-yl)-[3-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: (4-methylsulfonylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone CAS Name: (4-methylsulfonyl-1-piperazinyl)-[3-(1-tetrazolyl)phenyl]methanone IUPAC Name: (4-methylsulfonylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone Traditional Name: (4-mesylpiperazino)-[3-(tetrazol-1-yl)phenyl]methanone Formula: C13H16N6O3S MolecularWeight: 336.36954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C=NN=N3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C=NN=N3

InChI

InChI=1S/C13H16N6O3S/c1-23(21,22)18-7-5-17(6-8-18)13(20)11-3-2-4-12(9-11)19-10-14-15-16-19/h2-4,9-10H,5-8H2,1H3