3-nitro-4-[(2,4,5-trimethoxyphenyl)methylamino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[(2,4,5-trimethoxyphenyl)methylamino]benzenesulfonamide Openeye Name: 3-nitro-4-[(2,4,5-trimethoxyphenyl)methylamino]benzenesulfonamide CAS Name: 3-nitro-4-[(2,4,5-trimethoxyphenyl)methylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-[(2,4,5-trimethoxyphenyl)methylamino]benzenesulfonamide Traditional Name: 3-nitro-4-[(2,4,5-trimethoxybenzyl)amino]benzenesulfonamide Formula: C16H19N3O7S MolecularWeight: 397.40296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C16H19N3O7S/c1-24-14-8-16(26-3)15(25-2)6-10(14)9-18-12-5-4-11(27(17,22)23)7-13(12)19(20)21/h4-8,18H,9H2,1-3H3,(H2,17,22,23)