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

Systemtic Name: (phenylmethyl) 4-methyl-5-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-pentanoate Openeye Name: benzyl 4-methyl-3-oxo-5-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-5-[(4-methylphenyl)sulfonylamino]-3-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-5-[(4-methylphenyl)sulfonylamino]-3-oxopentanoate Traditional Name: 3-keto-4-methyl-5-(tosylamino)valeric acid benzyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-15-8-10-18(11-9-15)27(24,25)21-13-16(2)19(22)12-20(23)26-14-17-6-4-3-5-7-17/h3-11,16,21H,12-14H2,1-2H3