2-[3-[4-(oxan-4-ylsulfonyl)phenoxy]propylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[3-[4-(oxan-4-ylsulfonyl)phenoxy]propylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[3-(4-tetrahydropyran-4-ylsulfonylphenoxy)propylsulfanyl]-1,3-benzoxazole CAS Name: 2-[3-[4-(4-oxanylsulfonyl)phenoxy]propylthio]-1,3-benzoxazole IUPAC Name: 2-[3-[4-(oxan-4-ylsulfonyl)phenoxy]propylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[3-(4-tetrahydropyran-4-ylsulfonylphenoxy)propylthio]-1,3-benzoxazole Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1S(=O)(=O)C2=CC=C(C=C2)OCCCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1COCCC1S(=O)(=O)C2=CC=C(C=C2)OCCCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23NO5S2/c23-29(24,18-10-13-25-14-11-18)17-8-6-16(7-9-17)26-12-3-15-28-21-22-19-4-1-2-5-20(19)27-21/h1-2,4-9,18H,3,10-15H2