2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-(2,4,5-trimethylphenyl)ethanone Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C)C

InChI

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