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

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: N-(2-isopropylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: N-(2-isopropylpyrazol-3-yl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionamide Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O6S/c1-13(2)23-18(8-9-20-23)21-19(25)14(3)30-17-7-6-15(12-16(17)24(26)27)31(28,29)22-10-4-5-11-22/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,21,25)