N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-12-2-4-14(11-15(12)19(20)21)26(22,23)18-7-6-13-3-5-16-17(10-13)25-9-8-24-16/h2-5,10-11,18H,6-9H2,1H3