(phenylmethyl) 4,4-dimethyl-5-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 4,4-dimethyl-5-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-pentanoate Openeye Name: benzyl 4,4-dimethyl-3-oxo-5-(p-tolylsulfonylamino)pentanoate CAS Name: 4,4-dimethyl-5-[(4-methylphenyl)sulfonylamino]-3-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4,4-dimethyl-5-[(4-methylphenyl)sulfonylamino]-3-oxopentanoate Traditional Name: 3-keto-4,4-dimethyl-5-(tosylamino)valeric acid benzyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C)(C)C(=O)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C)(C)C(=O)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-16-9-11-18(12-10-16)28(25,26)22-15-21(2,3)19(23)13-20(24)27-14-17-7-5-4-6-8-17/h4-12,22H,13-15H2,1-3H3