2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-(2-morpholinothiazol-4-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-[2-(4-morpholinyl)-4-thiazolyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-(2-morpholinothiazol-4-yl)phenyl]-5-nitro-benzenesulfonamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4

InChI

InChI=1S/C20H20N4O5S2/c1-14-2-7-17(24(25)26)12-19(14)31(27,28)22-16-5-3-15(4-6-16)18-13-30-20(21-18)23-8-10-29-11-9-23/h2-7,12-13,22H,8-11H2,1H3