2-[5-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-2-propyl-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-2-propyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[5-[(4-fluorophenyl)sulfonyl-isopentyl-amino]-2-propyl-benzimidazol-1-yl]acetic acid CAS Name: 2-[5-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-2-propyl-1-benzimidazolyl]acetic acid IUPAC Name: 2-[5-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-2-propylbenzimidazol-1-yl]acetic acid Traditional Name: 2-[5-[(4-fluorophenyl)sulfonyl-isoamyl-amino]-2-propyl-benzimidazol-1-yl]acetic acid Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC(=O)O)C=CC(=C2)N(CCC(C)C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NC2=C(N1CC(=O)O)C=CC(=C2)N(CCC(C)C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O4S/c1-4-5-22-25-20-14-18(8-11-21(20)26(22)15-23(28)29)27(13-12-16(2)3)32(30,31)19-9-6-17(24)7-10-19/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,28,29)