(2-methoxy-2-oxidanylidene-ethyl) 3-[(4-bromophenyl)sulfonyl-(3,5-dimethylphenyl)amino]propanoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 3-[(4-bromophenyl)sulfonyl-(3,5-dimethylphenyl)amino]propanoate Openeye Name: (2-methoxy-2-oxo-ethyl) 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethyl-anilino)propanoate CAS Name: 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethylanilino)propanoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 3-(N-(4-bromophenyl)sulfonyl-3,5-dimethylanilino)propanoate Traditional Name: 3-(N-brosyl-3,5-dimethyl-anilino)propionic acid (2-keto-2-methoxy-ethyl) ester Formula: C20H22BrNO6S MolecularWeight: 484.36078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)OCC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)OCC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C20H22BrNO6S/c1-14-10-15(2)12-17(11-14)22(9-8-19(23)28-13-20(24)27-3)29(25,26)18-6-4-16(21)5-7-18/h4-7,10-12H,8-9,13H2,1-3H3