N-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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