8-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-(1H-benzimidazol-2-ylmethyl)piperazino]sulfonylquinoline Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C21H21N5O2S/c27-29(28,19-9-3-5-16-6-4-10-22-21(16)19)26-13-11-25(12-14-26)15-20-23-17-7-1-2-8-18(17)24-20/h1-10H,11-15H2,(H,23,24)