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

Systemtic Name: 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitro-phenoxy)ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitro-phenoxy)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitrophenoxy)acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitro-phenoxy)acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S/c1-13-4-9-21(19(10-13)24(26)27)30-12-20(25)18-11-14(2)23(15(18)3)16-5-7-17(8-6-16)31(22,28)29/h4-11H,12H2,1-3H3,(H2,22,28,29)