4-[3-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[(2-isopropylsulfanylbenzimidazol-1-yl)methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[2-(propan-2-ylthio)-1-benzimidazolyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[2-(isopropylthio)benzimidazol-1-yl]methyl]phenyl]sulfonylmorpholine Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=CC=CC=C2N1CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)SC1=NC2=CC=CC=C2N1CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N3O3S2/c1-16(2)28-21-22-19-8-3-4-9-20(19)24(21)15-17-6-5-7-18(14-17)29(25,26)23-10-12-27-13-11-23/h3-9,14,16H,10-13,15H2,1-2H3