N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]acetamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide Formula: C17H21N5O7S MolecularWeight: 439.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N5O7S/c1-12-9-16(20(2)19-12)18-17(23)11-29-15-4-3-13(10-14(15)22(24)25)30(26,27)21-5-7-28-8-6-21/h3-4,9-10H,5-8,11H2,1-2H3,(H,18,23)