2-(3,5-dimethylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-13-8-14(2)10-15(9-13)28-12-19(23)21-7-6-20-17-5-4-16(29(3,26)27)11-18(17)22(24)25/h4-5,8-11,20H,6-7,12H2,1-3H3,(H,21,23)