N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C22H27N3O6S MolecularWeight: 461.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-16-6-7-18(17(2)12-16)14-23(3)22(26)15-31-21-9-8-19(13-20(21)25(27)28)32(29,30)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3