6-[6-[(4-bromophenyl)sulfonylamino]-2,3-diphenyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[6-[(4-bromophenyl)sulfonylamino]-2,3-diphenyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[6-[(4-bromophenyl)sulfonylamino]-2,3-diphenyl-benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[6-[(4-bromophenyl)sulfonylamino]-2,3-diphenyl-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[6-[(4-bromophenyl)sulfonylamino]-2,3-diphenylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[6-(brosylamino)-2,3-diphenyl-benzimidazol-5-yl]oxyhexanoic acid Formula: C31H28BrN3O5S MolecularWeight: 634.54012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2C4=CC=CC=C4)OCCCCCC(=O)O)NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2C4=CC=CC=C4)OCCCCCC(=O)O)NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H28BrN3O5S/c32-23-15-17-25(18-16-23)41(38,39)34-27-20-26-28(21-29(27)40-19-9-3-8-14-30(36)37)35(24-12-6-2-7-13-24)31(33-26)22-10-4-1-5-11-22/h1-2,4-7,10-13,15-18,20-21,34H,3,8-9,14,19H2,(H,36,37)