N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(4-methylsulfonylphenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(4-methylsulfonylphenyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(4-mesylphenyl)-4-morpholino-3-nitro-benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-28(25,26)15-5-3-14(4-6-15)19-18(22)13-2-7-16(17(12-13)21(23)24)20-8-10-27-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)