methyl 2-[(3-hydroxyphenyl)methyl]-3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propanoate

Systemtic Name: methyl 2-[(3-hydroxyphenyl)methyl]-3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propanoate Openeye Name: methyl 2-[[benzyl(p-tolylsulfonyl)amino]methyl]-3-(3-hydroxyphenyl)propanoate CAS Name: 2-[(3-hydroxyphenyl)methyl]-3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[benzyl-(4-methylphenyl)sulfonylamino]methyl]-3-(3-hydroxyphenyl)propanoate Traditional Name: 2-[[benzyl(tosyl)amino]methyl]-3-(3-hydroxyphenyl)propionic acid methyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(CC3=CC(=CC=C3)O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(CC3=CC(=CC=C3)O)C(=O)OC

InChI

InChI=1S/C25H27NO5S/c1-19-11-13-24(14-12-19)32(29,30)26(17-20-7-4-3-5-8-20)18-22(25(28)31-2)15-21-9-6-10-23(27)16-21/h3-14,16,22,27H,15,17-18H2,1-2H3