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

Systemtic Name: 4-[1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzenesulfonamide Openeye Name: 4-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethoxy]-3-nitro-benzenesulfonamide CAS Name: 4-[1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl]oxy-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]oxy-3-nitrobenzenesulfonamide Traditional Name: 4-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethoxy]-3-nitro-benzenesulfonamide Formula: C21H20ClN3O6S MolecularWeight: 477.918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)OC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)OC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O6S/c1-12-10-18(13(2)24(12)16-6-4-15(22)5-7-16)21(26)14(3)31-20-9-8-17(32(23,29)30)11-19(20)25(27)28/h4-11,14H,1-3H3,(H2,23,29,30)