2-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-12-9-14(21(23)24)10-17(13(12)2)28(25,26)20(3)11-18(22)19-15-7-5-6-8-16(15)27-4/h5-10H,11H2,1-4H3,(H,19,22)