4-[2-(2,4-dimethylphenoxy)ethylamino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H21N3O5S MolecularWeight: 379.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O5S/c1-12-4-7-17(13(2)10-12)25-9-8-19-15-6-5-14(26(23,24)18-3)11-16(15)20(21)22/h4-7,10-11,18-19H,8-9H2,1-3H3