3-nitro-N-[4-oxidanyl-3-(phenylmethylsulfanyl)naphthalen-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[4-oxidanyl-3-(phenylmethylsulfanyl)naphthalen-1-yl]benzenesulfonamide Openeye Name: N-(3-benzylsulfanyl-4-hydroxy-1-naphthyl)-3-nitro-benzenesulfonamide CAS Name: N-[4-hydroxy-3-(phenylmethylthio)-1-naphthalenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-4-hydroxynaphthalen-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-[3-(benzylthio)-4-hydroxy-1-naphthyl]-3-nitro-benzenesulfonamide Formula: C23H18N2O5S2 MolecularWeight: 466.52942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N2O5S2/c26-23-20-12-5-4-11-19(20)21(14-22(23)31-15-16-7-2-1-3-8-16)24-32(29,30)18-10-6-9-17(13-18)25(27)28/h1-14,24,26H,15H2