N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-prop-2-enyl-thiophene-2-sulfonamide

Systemtic Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-prop-2-enyl-thiophene-2-sulfonamide Openeye Name: N-allyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]thiophene-2-sulfonamide CAS Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-prop-2-enyl-2-thiophenesulfonamide IUPAC Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-prop-2-enylthiophene-2-sulfonamide Traditional Name: N-allyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]thiophene-2-sulfonamide Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C=CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H16N2O6S2/c1-2-5-17(26(21,22)15-4-3-6-25-15)9-12-7-14(18(19)20)8-13-10-23-11-24-16(12)13/h2-4,6-8H,1,5,9-11H2