3-(1H-benzimidazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1H-benzimidazol-2-yl)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazino]propan-1-one Formula: C20H21FN4O3S MolecularWeight: 416.469143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C20H21FN4O3S/c21-15-4-3-5-16(14-15)29(27,28)25-12-10-24(11-13-25)20(26)9-8-19-22-17-6-1-2-7-18(17)23-19/h1-7,14H,8-13H2,(H,22,23)