2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(4-propan-2-ylphenyl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-15(2)16-5-7-17(8-6-16)20(24)14-29-21-10-9-18(13-19(21)23(25)26)30(27,28)22-11-3-4-12-22/h5-10,13,15H,3-4,11-12,14H2,1-2H3