2-chloranyl-N-[2-(3,5-dimethylphenoxy)ethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[2-(3,5-dimethylphenoxy)ethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-5-nitro-benzenesulfonamide Formula: C16H17ClN2O5S MolecularWeight: 384.83458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H17ClN2O5S/c1-11-7-12(2)9-14(8-11)24-6-5-18-25(22,23)16-10-13(19(20)21)3-4-15(16)17/h3-4,7-10,18H,5-6H2,1-2H3