4-[2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethoxy]-3-nitro-benzenesulfonamide CAS Name: 4-[2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]-2-oxoethoxy]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxoethoxy]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)-2-keto-ethoxy]-3-nitro-benzenesulfonamide Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6S/c1-14(2)17-5-7-18(8-6-17)25-15(3)11-20(16(25)4)22(27)13-32-23-10-9-19(33(24,30)31)12-21(23)26(28)29/h5-12,14H,13H2,1-4H3,(H2,24,30,31)