2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-(N-mesyl-2,5-dimethyl-anilino)-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)S(=O)(=O)C

InChI

InChI=1S/C18H21N3O5S/c1-12-8-9-13(2)17(10-12)20(27(4,25)26)11-18(22)19-15-6-5-7-16(14(15)3)21(23)24/h5-10H,11H2,1-4H3,(H,19,22)