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

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H19N3O6S MolecularWeight: 393.41426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-3-19(4-2)27(23,24)13-6-7-14(15(10-13)20(21)22)18-12-5-8-16-17(9-12)26-11-25-16/h5-10,18H,3-4,11H2,1-2H3