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

Systemtic Name: 4-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-(2-morpholino-1,3-benzothiazol-6-yl)-2-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-2-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-(2-morpholino-1,3-benzothiazol-6-yl)-2-nitro-benzenesulfonamide Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S2/c1-27-13-3-5-17(15(11-13)22(23)24)30(25,26)20-12-2-4-14-16(10-12)29-18(19-14)21-6-8-28-9-7-21/h2-5,10-11,20H,6-9H2,1H3