6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-amine CAS Name: 6-[3-ethyl-5-(4-fluorophenyl)-4-imidazolyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]-1-isopropylsulfonyl-benzimidazol-2-yl]amine Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC(=C1C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C=NC(=C1C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5O2S/c1-4-26-12-24-19(14-5-8-16(22)9-6-14)20(26)15-7-10-17-18(11-15)27(21(23)25-17)30(28,29)13(2)3/h5-13H,4H2,1-3H3,(H2,23,25)