N-(4-chloranyl-2-methyl-phenyl)-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5S/c1-11-4-6-14(21(23)24)9-16(11)20(27(3,25)26)10-17(22)19-15-7-5-13(18)8-12(15)2/h4-9H,10H2,1-3H3,(H,19,22)