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

Systemtic Name: 2-[5-[(4-fluorophenyl)sulfonyl-propan-2-yl-amino]-2-propyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[5-[(4-fluorophenyl)sulfonyl-isopropyl-amino]-2-propyl-benzimidazol-1-yl]acetic acid CAS Name: 2-[5-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-2-propyl-1-benzimidazolyl]acetic acid IUPAC Name: 2-[5-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-2-propylbenzimidazol-1-yl]acetic acid Traditional Name: 2-[5-[(4-fluorophenyl)sulfonyl-isopropyl-amino]-2-propyl-benzimidazol-1-yl]acetic acid Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4S/c1-4-5-20-23-18-12-16(8-11-19(18)24(20)13-21(26)27)25(14(2)3)30(28,29)17-9-6-15(22)7-10-17/h6-12,14H,4-5,13H2,1-3H3,(H,26,27)