1-butyl-2-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-[methyl(p-tolylsulfonyl)amino]phenoxy]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-[methyl(tosyl)amino]phenoxy]methyl]benzimidazole-5-sulfonamide Formula: C26H30N4O5S2 MolecularWeight: 542.6702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H30N4O5S2/c1-4-5-16-30-25-15-14-23(36(27,31)32)17-24(25)28-26(30)18-35-21-10-8-20(9-11-21)29(3)37(33,34)22-12-6-19(2)7-13-22/h6-15,17H,4-5,16,18H2,1-3H3,(H2,27,31,32)