4-[1-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[1-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[1-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]ethyl]benzenesulfonamide CAS Name: 4-[1-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[1-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[1-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]ethyl]benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H21N3O6S/c1-12(13-3-5-17(6-4-13)28(19,24)25)20(2)9-14-7-16(21(22)23)8-15-10-26-11-27-18(14)15/h3-8,12H,9-11H2,1-2H3,(H2,19,24,25)