4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[(2,5-dimethylphenyl)methylthio]-1-ethyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[(2,5-dimethylbenzyl)thio]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C22H27N3O3S2/c1-4-25-21-8-7-19(30(26,27)24-9-11-28-12-10-24)14-20(21)23-22(25)29-15-18-13-16(2)5-6-17(18)3/h5-8,13-14H,4,9-12,15H2,1-3H3