4-(4-methylphenyl)sulfanyl-N-(3-methylsulfonylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-(3-methylsulfonylphenyl)-3-nitro-benzamide Openeye Name: N-(3-methylsulfonylphenyl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-N-(3-methylsulfonylphenyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-(3-methylsulfonylphenyl)-3-nitrobenzamide Traditional Name: N-(3-mesylphenyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S2/c1-14-6-9-17(10-7-14)29-20-11-8-15(12-19(20)23(25)26)21(24)22-16-4-3-5-18(13-16)30(2,27)28/h3-13H,1-2H3,(H,22,24)