2-(3-tert-butylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(3-tert-butylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(3-tert-butylphenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(3-tert-butylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(3-tert-butylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-(3-tert-butylphenoxy)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-21(2,3)15-6-5-7-16(12-15)30-14-20(25)23-11-10-22-18-9-8-17(31(4,28)29)13-19(18)24(26)27/h5-9,12-13,22H,10-11,14H2,1-4H3,(H,23,25)