4-chloranyl-N-(2,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(2,4-dimethylphenyl)-N-(2-morpholino-2-oxo-ethyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(2,4-dimethylphenyl)-N-[2-(4-morpholinyl)-2-oxoethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(2,4-dimethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(2,4-dimethylphenyl)-N-(2-keto-2-morpholino-ethyl)-3-nitro-benzenesulfonamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H22ClN3O6S/c1-14-3-6-18(15(2)11-14)23(13-20(25)22-7-9-30-10-8-22)31(28,29)16-4-5-17(21)19(12-16)24(26)27/h3-6,11-12H,7-10,13H2,1-2H3