N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[2-(4-ethyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[2-(4-ethylpiperazino)phenyl]acetamide Formula: C27H30N5O3S2+ MolecularWeight: 536.6888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3S2/c1-2-30-16-18-31(19-17-30)24-14-8-6-12-22(24)28-26(33)20-36-27-29-23-13-7-9-15-25(23)32(27)37(34,35)21-10-4-3-5-11-21/h3-15H,2,16-20H2,1H3,(H,28,33)/p+1