7-(1H-imidazol-2-yl)-1-(4-methylsulfonylphenyl)heptan-1-one

Systemtic Name: 7-(1H-imidazol-2-yl)-1-(4-methylsulfonylphenyl)heptan-1-one Openeye Name: 7-(1H-imidazol-2-yl)-1-(4-methylsulfonylphenyl)heptan-1-one CAS Name: 7-(1H-imidazol-2-yl)-1-(4-methylsulfonylphenyl)-1-heptanone IUPAC Name: 7-(1H-imidazol-2-yl)-1-(4-methylsulfonylphenyl)heptan-1-one Traditional Name: 7-(1H-imidazol-2-yl)-1-(4-mesylphenyl)heptan-1-one Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCCCCCC2=NC=CN2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CCCCCCC2=NC=CN2

InChI

InChI=1S/C17H22N2O3S/c1-23(21,22)15-10-8-14(9-11-15)16(20)6-4-2-3-5-7-17-18-12-13-19-17/h8-13H,2-7H2,1H3,(H,18,19)