3-ethanoyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 3-ethanoyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 3-acetyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 3-acetyl-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C20H18N2O3S2/c1-15(23)17-5-2-6-20(12-17)27(24,25)22-18-7-9-19(10-8-18)26-14-16-4-3-11-21-13-16/h2-13,22H,14H2,1H3