4-[3-[2-(2-methoxy-5-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-[2-(2-methoxy-5-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-(2-methoxy-5-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[3-[2-(2-methoxy-5-nitrophenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-(2-methoxy-5-nitrophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-(2-methoxy-5-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7S/c1-13-10-18(14(2)23(13)15-4-7-17(8-5-15)32(22,28)29)19(25)12-31-21-11-16(24(26)27)6-9-20(21)30-3/h4-11H,12H2,1-3H3,(H2,22,28,29)