4-propan-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 4-propan-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 4-isopropyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 4-propan-2-yl-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 4-propan-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 4-isopropyl-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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