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

Systemtic Name: 4-[2,5-dimethyl-3-(2-phenylsulfanylethanoyl)pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-(2-phenylsulfanylacetyl)pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(phenylthio)ethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-(2-phenylsulfanylacetyl)pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(phenylthio)acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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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)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c1-14-12-19(20(23)13-26-17-6-4-3-5-7-17)15(2)22(14)16-8-10-18(11-9-16)27(21,24)25/h3-12H,13H2,1-2H3,(H2,21,24,25)