N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-yl-ethyl]propane-1-sulfonamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-yl-ethyl]propane-1-sulfonamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridyl)ethyl]propane-1-sulfonamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridinyl)ethyl]-1-propanesulfonamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]propane-1-sulfonamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridyl)ethyl]propane-1-sulfonamide Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCS(=O)(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H22N2O6S2/c1-2-10-27(21,22)20-13-18(14-4-3-7-19-12-14)28(23,24)15-5-6-16-17(11-15)26-9-8-25-16/h3-7,11-12,18,20H,2,8-10,13H2,1H3