2,5-dimethoxy-N-[4-oxidanyl-3-(phenylmethylsulfanyl)naphthalen-1-yl]benzenesulfonamide

Systemtic Name: 2,5-dimethoxy-N-[4-oxidanyl-3-(phenylmethylsulfanyl)naphthalen-1-yl]benzenesulfonamide Openeye Name: N-(3-benzylsulfanyl-4-hydroxy-1-naphthyl)-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[4-hydroxy-3-(phenylmethylthio)-1-naphthalenyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[3-(benzylthio)-4-hydroxy-1-naphthyl]-2,5-dimethoxy-benzenesulfonamide Formula: C25H23NO5S2 MolecularWeight: 481.58382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO5S2/c1-30-18-12-13-22(31-2)24(14-18)33(28,29)26-21-15-23(32-16-17-8-4-3-5-9-17)25(27)20-11-7-6-10-19(20)21/h3-15,26-27H,16H2,1-2H3