N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-4-methyl-3-nitro-benzamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-4-24(5-2)20-9-8-18(33(30,31)25-10-12-32-13-11-25)15-19(20)23-22(27)17-7-6-16(3)21(14-17)26(28)29/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,23,27)