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

Systemtic Name: 4-[2,5-dimethyl-3-(2-pyridin-2-ylsulfanylethanoyl)pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-(2-pyridylsulfanyl)acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(2-pyridinylthio)ethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-(2-pyridin-2-ylsulfanylacetyl)pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-(2-pyridylthio)acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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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=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C19H19N3O3S2/c1-13-11-17(18(23)12-26-19-5-3-4-10-21-19)14(2)22(13)15-6-8-16(9-7-15)27(20,24)25/h3-11H,12H2,1-2H3,(H2,20,24,25)