2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfonyl]-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfonyl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfonyl-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)sulfonyl]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfonyl-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-(1-cyclohexyltetrazol-5-yl)sulfonyl-1-(3,4-dimethoxyphenyl)ethanone Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CS(=O)(=O)C2=NN=NN2C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CS(=O)(=O)C2=NN=NN2C3CCCCC3)OC

InChI

InChI=1S/C17H22N4O5S/c1-25-15-9-8-12(10-16(15)26-2)14(22)11-27(23,24)17-18-19-20-21(17)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3