N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C20H18N2O4S2/c23-28(24,18-7-8-19-20(12-18)26-11-10-25-19)22-16-3-5-17(6-4-16)27-14-15-2-1-9-21-13-15/h1-9,12-13,22H,10-11,14H2