2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: N-(2-isopropylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: N-(2-isopropylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C18H23N5O6S MolecularWeight: 437.47012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O6S/c1-13(2)22-17(7-8-19-22)20-18(24)12-29-16-6-5-14(11-15(16)23(25)26)30(27,28)21-9-3-4-10-21/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,20,24)