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

Systemtic Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-3-methyl-2-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=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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