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

Systemtic Name: 4-chloranyl-N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-3-nitro-benzamide Formula: C21H25ClN4O6S MolecularWeight: 496.9644

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O6S/c1-3-24(4-2)19-8-6-16(33(30,31)25-9-11-32-12-10-25)14-18(19)23-21(27)15-5-7-17(22)20(13-15)26(28)29/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,27)