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

Systemtic Name: 3-(2,3-dimethylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(2,3-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(2,3-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(2,3-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(2,3-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=C(C(=CC=C1)OCCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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