[4-(phenylmethyl)sulfonylphenyl]methyl 2-(2-benzamidoethanoylamino)ethanoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 2-(2-benzamidoethanoylamino)ethanoate Openeye Name: (4-benzylsulfonylphenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate CAS Name: 2-[(2-benzamido-1-oxoethyl)amino]acetic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate Traditional Name: 2-(hippuroylamino)acetic acid (4-benzylsulfonylbenzyl) ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)COC(=O)CNC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)COC(=O)CNC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O6S/c28-23(15-27-25(30)21-9-5-2-6-10-21)26-16-24(29)33-17-19-11-13-22(14-12-19)34(31,32)18-20-7-3-1-4-8-20/h1-14H,15-18H2,(H,26,28)(H,27,30)