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

Systemtic Name: 4-propyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 4-propyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 4-propyl-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 4-propyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 4-propyl-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C21H22N2O2S2/c1-2-4-17-6-12-21(13-7-17)27(24,25)23-19-8-10-20(11-9-19)26-16-18-5-3-14-22-15-18/h3,5-15,23H,2,4,16H2,1H3