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

Systemtic Name: N-[4-[4-(2-methylphenyl)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-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-o-toluoylpiperazino)phenyl]acetamide Formula: C33H32N5O4S2+ MolecularWeight: 626.76828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=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

CC1=CC=CC=C1C(=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/C33H31N5O4S2/c1-24-9-5-6-12-28(24)32(40)37-21-19-36(20-22-37)26-17-15-25(16-18-26)34-31(39)23-43-33-35-29-13-7-8-14-30(29)38(33)44(41,42)27-10-3-2-4-11-27/h2-18H,19-23H2,1H3,(H,34,39)/p+1