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

Systemtic Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-[1-(3-methoxypropyl)-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(N1CCCOC)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

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