3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-[4-(4-propylsulfonylpiperazin-1-yl)phenyl]propan-1-one

Systemtic Name: 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-[4-(4-propylsulfonylpiperazin-1-yl)phenyl]propan-1-one Openeye Name: 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-[4-(4-propylsulfonylpiperazin-1-yl)phenyl]propan-1-one CAS Name: 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-[4-(4-propylsulfonyl-1-piperazinyl)phenyl]-1-propanone IUPAC Name: 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-[4-(4-propylsulfonylpiperazin-1-yl)phenyl]propan-1-one Traditional Name: 3-[4-(2-imidazolin-2-ylamino)phenyl]-1-[4-(4-propylsulfonylpiperazino)phenyl]propan-1-one Formula: C25H33N5O3S MolecularWeight: 483.62622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CCC3=CC=C(C=C3)NC4=NCCN4

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CCC3=CC=C(C=C3)NC4=NCCN4

InChI

InChI=1S/C25H33N5O3S/c1-2-19-34(32,33)30-17-15-29(16-18-30)23-10-6-21(7-11-23)24(31)12-5-20-3-8-22(9-4-20)28-25-26-13-14-27-25/h3-4,6-11H,2,5,12-19H2,1H3,(H2,26,27,28)