3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]propanoic acid Openeye Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-(4-hydroxyphenyl)propionic acid Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C23H23NO6S/c1-30-20-11-13-21(14-12-20)31(28,29)24(16-18-5-3-2-4-6-18)22(23(26)27)15-17-7-9-19(25)10-8-17/h2-14,22,25H,15-16H2,1H3,(H,26,27)