(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C

InChI

InChI=1S/C24H33NO5S/c1-7-29-20-8-10-21(11-9-20)31(27,28)25-13-12-23(26)30-16-22-17(2)14-19(15-18(22)3)24(4,5)6/h8-11,14-15,25H,7,12-13,16H2,1-6H3