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

Systemtic Name: N-(4-ethylsulfonylphenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(4-ethylsulfonylphenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(4-ethylsulfonylphenyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4-ethylsulfonylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(4-esylphenyl)-4-morpholino-3-nitro-benzamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-2-29(26,27)16-6-4-15(5-7-16)20-19(23)14-3-8-17(18(13-14)22(24)25)21-9-11-28-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,23)