4-[2-[(4-bromophenyl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-[(4-bromophenyl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(4-bromophenyl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[[(4-bromophenyl)thio]methyl]-1-ethyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(4-bromophenyl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[[(4-bromophenyl)thio]methyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C20H22BrN3O3S2 MolecularWeight: 496.44098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H22BrN3O3S2/c1-2-24-19-8-7-17(29(25,26)23-9-11-27-12-10-23)13-18(19)22-20(24)14-28-16-5-3-15(21)4-6-16/h3-8,13H,2,9-12,14H2,1H3