N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H18N2O4S2/c19-12-14-3-1-2-4-15(14)13-25-10-7-20-26(21,22)16-5-6-17-18(11-16)24-9-8-23-17/h1-6,11,20H,7-10,13H2