4-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]-1-(4-fluorophenyl)butan-1-one Formula: C23H26FN3O4S2 MolecularWeight: 491.598643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O4S2/c1-2-27-21-10-9-19(33(29,30)26-11-13-31-14-12-26)16-20(21)25-23(27)32-15-3-4-22(28)17-5-7-18(24)8-6-17/h5-10,16H,2-4,11-15H2,1H3