2,3-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-5-nitro-benzenesulfonamide Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S2/c1-12-9-15(23(24)25)11-18(13(12)2)30(26,27)21-14-3-4-16-17(10-14)29-19(20-16)22-5-7-28-8-6-22/h3-4,9-11,21H,5-8H2,1-2H3