2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-14-10-15(2)21(16(3)11-14)22-20(25)13-30-19-7-6-17(12-18(19)24(26)27)31(28,29)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,22,25)