N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(4-propoxyphenoxy)ethanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(4-propoxyphenoxy)ethanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(4-propoxyphenoxy)acetamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(4-propoxyphenoxy)acetamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(4-propoxyphenoxy)acetamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(4-propoxyphenoxy)acetamide Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O7S/c1-3-12-29-15-4-6-16(7-5-15)30-14-20(24)22-11-10-21-18-9-8-17(31(2,27)28)13-19(18)23(25)26/h4-9,13,21H,3,10-12,14H2,1-2H3,(H,22,24)