N-(2,5-dimethylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C17H21N5O6S MolecularWeight: 423.44354

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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)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N5O6S/c1-12-9-16(20(2)19-12)18-17(23)11-28-15-6-5-13(10-14(15)22(24)25)29(26,27)21-7-3-4-8-21/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,18,23)