1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O7S/c1-15-11-19(17(3)24(15)16(2)13-31-4)21(26)14-32-22-8-7-18(12-20(22)25(27)28)33(29,30)23-9-5-6-10-23/h7-8,11-12,16H,5-6,9-10,13-14H2,1-4H3/t16-/m1/s1