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

Systemtic Name: N-[4-[4-(2-fluorophenyl)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-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-[4-(2-fluorobenzoyl)piperazino]phenyl]acetamide Formula: C32H29FN5O4S2+ MolecularWeight: 630.732163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6F

InChI

InChI=1S/C32H28FN5O4S2/c33-27-11-5-4-10-26(27)31(40)37-20-18-36(19-21-37)24-16-14-23(15-17-24)34-30(39)22-43-32-35-28-12-6-7-13-29(28)38(32)44(41,42)25-8-2-1-3-9-25/h1-17H,18-22H2,(H,34,39)/p+1