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

Systemtic Name: 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[(E)-(2-morpholino-4-phenyl-thiazol-5-yl)methyleneamino]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[(E)-[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]methylideneamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[(E)-(2-morpholino-4-phenyl-thiazol-5-yl)methyleneamino]-3-nitro-benzenesulfonamide Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NN=CC2=C(N=C(S2)N3CCOCC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N/N=C/C2=C(N=C(S2)N3CCOCC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S2/c1-15-7-8-17(13-18(15)26(27)28)33(29,30)24-22-14-19-20(16-5-3-2-4-6-16)23-21(32-19)25-9-11-31-12-10-25/h2-8,13-14,24H,9-12H2,1H3/b22-14+