(phenylmethyl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (phenylmethyl) 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: benzyl 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid benzyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4S/c1-15(2)13-19(20(22)25-14-17-7-5-4-6-8-17)21-26(23,24)18-11-9-16(3)10-12-18/h4-12,15,19,21H,13-14H2,1-3H3