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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C23H25N3O6S2 MolecularWeight: 503.5911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6S2/c1-16-12-20(17(2)25(16)14-18-6-5-11-33-18)22(27)15-32-23-8-7-19(13-21(23)26(28)29)34(30,31)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10,14-15H2,1-2H3