N-(1,3-benzodioxol-5-yl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-methyl-3-nitro-benzenesulfonamide Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c1-9-2-4-11(7-12(9)16(17)18)23(19,20)15-10-3-5-13-14(6-10)22-8-21-13/h2-7,15H,8H2,1H3