(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C25H27NO5S/c1-16-13-17(2)25(19(4)27)18(3)23(16)15-31-24(28)11-12-26-32(29,30)22-10-9-20-7-5-6-8-21(20)14-22/h5-10,13-14,26H,11-12,15H2,1-4H3