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

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylamino)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-N-methyl-3-nitro-benzenesulfonamide Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c1-15-24(20,21)10-3-4-11(12(7-10)17(18)19)16-9-2-5-13-14(6-9)23-8-22-13/h2-7,15-16H,8H2,1H3