2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(4-propylphenyl)ethanone

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(4-propylphenyl)ethanone Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(4-propylphenyl)ethanone CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-(4-propylphenyl)ethanone IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-propylphenyl)ethanone Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-(4-propylphenyl)ethanone Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6S/c1-2-5-16-6-8-17(9-7-16)20(24)15-29-21-11-10-18(14-19(21)23(25)26)30(27,28)22-12-3-4-13-22/h6-11,14H,2-5,12-13,15H2,1H3