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

Systemtic Name: 2-[5-[(4-fluorophenyl)sulfonyl-(3-phenoxypropyl)amino]-2-propyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[5-[(4-fluorophenyl)sulfonyl-(3-phenoxypropyl)amino]-2-propyl-benzimidazol-1-yl]acetic acid CAS Name: 2-[5-[(4-fluorophenyl)sulfonyl-(3-phenoxypropyl)amino]-2-propyl-1-benzimidazolyl]acetic acid IUPAC Name: 2-[5-[(4-fluorophenyl)sulfonyl-(3-phenoxypropyl)amino]-2-propylbenzimidazol-1-yl]acetic acid Traditional Name: 2-[5-[(4-fluorophenyl)sulfonyl-(3-phenoxypropyl)amino]-2-propyl-benzimidazol-1-yl]acetic acid Formula: C27H28FN3O5S MolecularWeight: 525.591723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC(=O)O)C=CC(=C2)N(CCCOC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC1=NC2=C(N1CC(=O)O)C=CC(=C2)N(CCCOC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H28FN3O5S/c1-2-7-26-29-24-18-21(12-15-25(24)30(26)19-27(32)33)31(16-6-17-36-22-8-4-3-5-9-22)37(34,35)23-13-10-20(28)11-14-23/h3-5,8-15,18H,2,6-7,16-17,19H2,1H3,(H,32,33)