N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[5-chloranyl-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-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[5-chloro-2-(4-ethyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[5-chloro-2-(4-ethylpiperazino)phenyl]acetamide Formula: C27H29ClN5O3S2+ MolecularWeight: 571.13386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN5O3S2/c1-2-31-14-16-32(17-15-31)24-13-12-20(28)18-23(24)29-26(34)19-37-27-30-22-10-6-7-11-25(22)33(27)38(35,36)21-8-4-3-5-9-21/h3-13,18H,2,14-17,19H2,1H3,(H,29,34)/p+1