methyl (2R)-3-(4-hydroxyphenyl)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: (2R)-3-(4-hydroxyphenyl)-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: (2R)-3-(4-hydroxyphenyl)-2-[(1-tosylisonipecotoyl)amino]propionic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C23H28N2O6S/c1-16-3-9-20(10-4-16)32(29,30)25-13-11-18(12-14-25)22(27)24-21(23(28)31-2)15-17-5-7-19(26)8-6-17/h3-10,18,21,26H,11-15H2,1-2H3,(H,24,27)/t21-/m1/s1