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

Systemtic Name: 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)-1-oxoethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C20H19N3O6S MolecularWeight: 429.44636

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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=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6S/c1-13-11-17(19(24)12-29-20-6-4-3-5-18(20)23(25)26)14(2)22(13)15-7-9-16(10-8-15)30(21,27)28/h3-11H,12H2,1-2H3,(H2,21,27,28)