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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C16H17N3O6S MolecularWeight: 379.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-10(11-3-6-15-16(7-11)25-9-24-15)18-13-5-4-12(26(22,23)17-2)8-14(13)19(20)21/h3-8,10,17-18H,9H2,1-2H3