2-nitro-N-[2-(phenylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[2-(phenylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: N-(2-benzylsulfanylphenyl)-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[2-(phenylmethylthio)phenyl]benzenesulfonamide IUPAC Name: N-(2-benzylsulfanylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-[2-(benzylthio)phenyl]-2-nitro-benzenesulfonamide Formula: C19H16N2O4S2 MolecularWeight: 400.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O4S2/c22-21(23)17-11-5-7-13-19(17)27(24,25)20-16-10-4-6-12-18(16)26-14-15-8-2-1-3-9-15/h1-13,20H,14H2