N-[4-[2-azanyl-1-(4-methylphenyl)sulfonyl-benzimidazol-5-yl]sulfanylphenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[2-azanyl-1-(4-methylphenyl)sulfonyl-benzimidazol-5-yl]sulfanylphenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[2-amino-1-(p-tolylsulfonyl)benzimidazol-5-yl]sulfanylphenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[[2-amino-1-(4-methylphenyl)sulfonyl-5-benzimidazolyl]thio]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[2-amino-1-(4-methylphenyl)sulfonylbenzimidazol-5-yl]sulfanylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[(2-amino-1-tosyl-benzimidazol-5-yl)thio]phenyl]-4-methyl-benzenesulfonamide Formula: C27H24N4O4S3 MolecularWeight: 564.69886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=CC4=C(C=C3)N(C(=N4)N)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=CC4=C(C=C3)N(C(=N4)N)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H24N4O4S3/c1-18-3-12-23(13-4-18)37(32,33)30-20-7-9-21(10-8-20)36-22-11-16-26-25(17-22)29-27(28)31(26)38(34,35)24-14-5-19(2)6-15-24/h3-17,30H,1-2H3,(H2,28,29)