N-(2-methylsulfanylphenyl)-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-(N-besyl-4-nitro-anilino)-N-[2-(methylthio)phenyl]acetamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

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