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

Systemtic Name: 2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]ethanamide Openeye Name: N-[4-(4-allylpiperazin-1-yl)phenyl]-2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-(4-prop-2-enyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide Traditional Name: N-[4-(4-allylpiperazino)phenyl]-2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C28H30N5O3S2+ MolecularWeight: 548.6995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3S2/c1-2-16-31-17-19-32(20-18-31)23-14-12-22(13-15-23)29-27(34)21-37-28-30-25-10-6-7-11-26(25)33(28)38(35,36)24-8-4-3-5-9-24/h2-15H,1,16-21H2,(H,29,34)/p+1