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

Systemtic Name: 3-[[3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]amino]propanoic acid Openeye Name: 3-[[2-hydroxy-3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propyl]amino]propanoic acid CAS Name: 3-[[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]amino]propanoic acid IUPAC Name: 3-[[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]amino]propanoic acid Traditional Name: 3-[[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(CNCCC(=O)O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S/c1-15-3-9-19(10-4-15)29(26,27)22(16-5-7-18(28-2)8-6-16)14-17(23)13-21-12-11-20(24)25/h3-10,17,21,23H,11-14H2,1-2H3,(H,24,25)