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

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(3-propan-2-ylphenyl)ethanamide Openeye Name: N-(3-isopropylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(3-propan-2-ylphenyl)acetamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-ylphenyl)acetamide Traditional Name: N-m-cumenyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15(2)16-6-5-7-17(12-16)22-21(25)14-30-20-9-8-18(13-19(20)24(26)27)31(28,29)23-10-3-4-11-23/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,22,25)