2-[5-[(4-cyanophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]-2-propyl-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[(4-cyanophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]-2-propyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[5-[(4-cyanophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]-2-propyl-benzimidazol-1-yl]acetic acid CAS Name: 2-[5-[(4-cyanophenyl)methyl-(4-fluorophenyl)sulfonylamino]-2-propyl-1-benzimidazolyl]acetic acid IUPAC Name: 2-[5-[(4-cyanophenyl)methyl-(4-fluorophenyl)sulfonylamino]-2-propylbenzimidazol-1-yl]acetic acid Traditional Name: 2-[5-[(4-cyanobenzyl)-(4-fluorophenyl)sulfonyl-amino]-2-propyl-benzimidazol-1-yl]acetic acid Formula: C26H23FN4O4S MolecularWeight: 506.548623

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC(=O)O)C=CC(=C2)N(CC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC1=NC2=C(N1CC(=O)O)C=CC(=C2)N(CC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H23FN4O4S/c1-2-3-25-29-23-14-21(10-13-24(23)30(25)17-26(32)33)31(16-19-6-4-18(15-28)5-7-19)36(34,35)22-11-8-20(27)9-12-22/h4-14H,2-3,16-17H2,1H3,(H,32,33)