2-imidazol-1-yl-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-imidazol-1-yl-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-imidazol-1-yl-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(1-imidazolyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-imidazol-1-yl-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-imidazol-1-yl-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazino]propan-1-one Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)N3C=CN=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C(C)N3C=CN=C3)C)C

InChI

InChI=1S/C21H30N4O3S/c1-14-15(2)17(4)20(18(5)16(14)3)29(27,28)25-11-9-23(10-12-25)21(26)19(6)24-8-7-22-13-24/h7-8,13,19H,9-12H2,1-6H3