N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C21H30N6O6S MolecularWeight: 494.5645

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H30N6O6S/c1-5-24(6-2)19-8-7-17(34(31,32)25-9-11-33-12-10-25)13-18(19)22-20(28)14-26-16(4)21(27(29)30)15(3)23-26/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,22,28)