2-nitro-4-(phenylmethylsulfanyl)-6-(phenylmethyl)sulfonyl-benzamide

Systemtic Name: 2-nitro-4-(phenylmethylsulfanyl)-6-(phenylmethyl)sulfonyl-benzamide Openeye Name: 4-benzylsulfanyl-2-benzylsulfonyl-6-nitro-benzamide CAS Name: 2-nitro-6-(phenylmethyl)sulfonyl-4-(phenylmethylthio)benzamide IUPAC Name: 4-benzylsulfanyl-2-benzylsulfonyl-6-nitrobenzamide Traditional Name: 2-benzylsulfonyl-4-(benzylthio)-6-nitro-benzamide Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=C(C(=C2)[N+](=O)[O-])C(=O)N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S2/c22-21(24)20-18(23(25)26)11-17(29-13-15-7-3-1-4-8-15)12-19(20)30(27,28)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,22,24)