(3,3-dimethyl-2-oxidanylidene-butyl) 3-[(4-methylphenyl)-(phenylsulfonyl)amino]propanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-[(4-methylphenyl)-(phenylsulfonyl)amino]propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-[N-(benzenesulfonyl)-4-methyl-anilino]propanoate CAS Name: 3-[N-(benzenesulfonyl)-4-methylanilino]propanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-[N-(benzenesulfonyl)-4-methylanilino]propanoate Traditional Name: 3-(N-besyl-4-methyl-anilino)propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-17-10-12-18(13-11-17)23(29(26,27)19-8-6-5-7-9-19)15-14-21(25)28-16-20(24)22(2,3)4/h5-13H,14-16H2,1-4H3