N-[(3,4-diethoxyphenyl)methyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-3-nitro-benzenesulfonamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: N-(3,4-diethoxybenzyl)-3-nitro-benzenesulfonamide Formula: C17H20N2O6S MolecularWeight: 380.4155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C17H20N2O6S/c1-3-24-16-9-8-13(10-17(16)25-4-2)12-18-26(22,23)15-7-5-6-14(11-15)19(20)21/h5-11,18H,3-4,12H2,1-2H3