4-[5-methylsulfanyl-1-(phenylsulfonyl)indol-2-yl]oxan-4-ol

Systemtic Name: 4-[5-methylsulfanyl-1-(phenylsulfonyl)indol-2-yl]oxan-4-ol Openeye Name: 4-[1-(benzenesulfonyl)-5-methylsulfanyl-indol-2-yl]tetrahydropyran-4-ol CAS Name: 4-[1-(benzenesulfonyl)-5-(methylthio)-2-indolyl]-4-oxanol IUPAC Name: 4-[1-(benzenesulfonyl)-5-methylsulfanylindol-2-yl]oxan-4-ol Traditional Name: 4-[1-besyl-5-(methylthio)indol-2-yl]tetrahydropyran-4-ol Formula: C20H21NO4S2 MolecularWeight: 403.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=C2)C3(CCOCC3)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=C2)C3(CCOCC3)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21NO4S2/c1-26-16-7-8-18-15(13-16)14-19(20(22)9-11-25-12-10-20)21(18)27(23,24)17-5-3-2-4-6-17/h2-8,13-14,22H,9-12H2,1H3