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

Systemtic Name: N-[4-[4-(4-methoxyphenyl)carbonylpiperazin-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-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-p-anisoylpiperazino)phenyl]acetamide Formula: C33H32N5O5S2+ MolecularWeight: 642.76768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](C5=CC=CC=C5N4)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](C5=CC=CC=C5N4)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H31N5O5S2/c1-43-27-17-11-24(12-18-27)32(40)37-21-19-36(20-22-37)26-15-13-25(14-16-26)34-31(39)23-44-33-35-29-9-5-6-10-30(29)38(33)45(41,42)28-7-3-2-4-8-28/h2-18H,19-23H2,1H3,(H,34,39)/p+1