2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[2-(phenylthio)phenyl]acetamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S2/c1-31(28,29)23(16-8-7-9-17(14-16)24(26)27)15-21(25)22-19-12-5-6-13-20(19)30-18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,22,25)