3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]-1-benzimidazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-6-[[methylsulfonyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-6-[[mesyl(phenyl)methyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C33H33N3O4S MolecularWeight: 567.69782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(C5=CC=CC=C5)S(=O)(=O)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=C(C=C2)NC(C5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C33H33N3O4S/c1-4-5-16-30-35-27-19-17-25(34-32(41(3,39)40)24-14-10-7-11-15-24)21-29(27)36(30)28-20-18-26(23-12-8-6-9-13-23)31(22(28)2)33(37)38/h6-15,17-21,32,34H,4-5,16H2,1-3H3,(H,37,38)