1-[3,5-dimethyl-1-(phenylsulfonyl)pyrazol-4-yl]sulfonylazepane

Systemtic Name: 1-[3,5-dimethyl-1-(phenylsulfonyl)pyrazol-4-yl]sulfonylazepane Openeye Name: 1-[1-(benzenesulfonyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[1-(benzenesulfonyl)-3,5-dimethyl-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[1-(benzenesulfonyl)-3,5-dimethylpyrazol-4-yl]sulfonylazepane Traditional Name: 1-(1-besyl-3,5-dimethyl-pyrazol-4-yl)sulfonylazepane Formula: C17H23N3O4S2 MolecularWeight: 397.51222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H23N3O4S2/c1-14-17(26(23,24)19-12-8-3-4-9-13-19)15(2)20(18-14)25(21,22)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3