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

Systemtic Name: 3-pyridin-4-yl-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-pyridyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-pyridin-4-yl-1-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-pyridin-4-yl-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-pyridyl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]propan-1-one Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=NC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=NC=C3)C)C

InChI

InChI=1S/C22H29N3O3S/c1-16-15-17(2)19(4)22(18(16)3)29(27,28)25-13-11-24(12-14-25)21(26)6-5-20-7-9-23-10-8-20/h7-10,15H,5-6,11-14H2,1-4H3