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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

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