2-[[3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]amino]propanoic acid

Systemtic Name: 2-[[3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]amino]propanoic acid Openeye Name: 2-[[2-hydroxy-3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propyl]amino]propanoic acid CAS Name: 2-[[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]amino]propanoic acid IUPAC Name: 2-[[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]amino]propanoic acid Traditional Name: 2-[[2-hydroxy-3-(4-methoxy-N-tosyl-anilino)propyl]amino]propionic acid Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CNC(C)C(=O)O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CNC(C)C(=O)O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H26N2O6S/c1-14-4-10-19(11-5-14)29(26,27)22(16-6-8-18(28-3)9-7-16)13-17(23)12-21-15(2)20(24)25/h4-11,15,17,21,23H,12-13H2,1-3H3,(H,24,25)