2-[(2-methylphenyl)-methylsulfonyl-amino]-N-[(E)-(2-morpholin-4-yl-5-nitro-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-[(2-methylphenyl)-methylsulfonyl-amino]-N-[(E)-(2-morpholin-4-yl-5-nitro-phenyl)methylideneamino]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-anilino)-N-[(E)-(2-morpholino-5-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[(E)-[2-(4-morpholinyl)-5-nitrophenyl]methylideneamino]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(N-mesyl-2-methyl-anilino)-N-[(E)-(2-morpholino-5-nitro-benzylidene)amino]acetamide Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C21H25N5O6S/c1-16-5-3-4-6-19(16)25(33(2,30)31)15-21(27)23-22-14-17-13-18(26(28)29)7-8-20(17)24-9-11-32-12-10-24/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,27)/b22-14+