N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(phenylmethyl)ethanamide

Systemtic Name: N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-methyl-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-benzyl-N-methyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-21(14-16-7-3-2-4-8-16)20(24)15-29-19-10-9-17(13-18(19)23(25)26)30(27,28)22-11-5-6-12-22/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3