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

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C18H20ClN3O6S MolecularWeight: 441.8859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O6S/c1-12-9-13(19)3-6-17(12)28-11-18(23)21-8-7-20-15-5-4-14(29(2,26)27)10-16(15)22(24)25/h3-6,9-10,20H,7-8,11H2,1-2H3,(H,21,23)