2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide Formula: C22H18N4O4S2 MolecularWeight: 466.53272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H18N4O4S2/c1-29-19-8-4-3-7-17(19)26-32(27,28)14-10-11-15-18(12-14)24-21(23-15)13-31-22-25-16-6-2-5-9-20(16)30-22/h2-12,26H,13H2,1H3,(H,23,24)