1-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(4R)-1,3-dioxan-4-yl]methylthio]benzimidazole-5-sulfonamide Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3CCOCO3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC[C@H]3CCOCO3

InChI

InChI=1S/C16H23N3O4S2/c1-2-3-7-19-15-5-4-13(25(17,20)21)9-14(15)18-16(19)24-10-12-6-8-22-11-23-12/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,17,20,21)/t12-/m1/s1