N,N,1-triethyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]benzimidazole-5-sulfonamide Formula: C26H35N5O5S3 MolecularWeight: 593.7816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H35N5O5S3/c1-5-29(6-2)39(35,36)22-12-13-24-23(18-22)27-26(31(24)7-3)37-19-25(32)28-14-16-30(17-15-28)38(33,34)21-10-8-20(4)9-11-21/h8-13,18H,5-7,14-17,19H2,1-4H3