N-[4-(4-nitrophenyl)sulfonylphenyl]-2-sulfanyl-benzamide

Systemtic Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-2-sulfanyl-benzamide Openeye Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-2-sulfanyl-benzamide CAS Name: 2-mercapto-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide IUPAC Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-2-sulfanylbenzamide Traditional Name: 2-mercapto-N-(4-nosylphenyl)benzamide Formula: C19H14N2O5S2 MolecularWeight: 414.45486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H14N2O5S2/c22-19(17-3-1-2-4-18(17)27)20-13-5-9-15(10-6-13)28(25,26)16-11-7-14(8-12-16)21(23)24/h1-12,27H,(H,20,22)