1-butyl-2-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[(2-methoxyphenyl)methyl-(2-thienylmethyl)amino]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[o-anisyl(2-thenyl)amino]methyl]benzimidazole-5-sulfonamide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(CC3=CC=CC=C3OC)CC4=CC=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(CC3=CC=CC=C3OC)CC4=CC=CS4

InChI

InChI=1S/C25H30N4O3S2/c1-3-4-13-29-23-12-11-21(34(26,30)31)15-22(23)27-25(29)18-28(17-20-9-7-14-33-20)16-19-8-5-6-10-24(19)32-2/h5-12,14-15H,3-4,13,16-18H2,1-2H3,(H2,26,30,31)