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

Systemtic Name: 3-(2,4-dimethylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(2,4-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(2,4-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(2,4-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(2,4-dimethylphenoxy)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-14-4-7-19(15(2)12-14)29-11-8-20(24)22-10-9-21-17-6-5-16(30(3,27)28)13-18(17)23(25)26/h4-7,12-13,21H,8-11H2,1-3H3,(H,22,24)