2-[(4-methylphenyl)sulfonyl-(3-oxidanyl-5-phenyl-1H-pyrrol-2-yl)amino]propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(3-oxidanyl-5-phenyl-1H-pyrrol-2-yl)amino]propanoic acid Openeye Name: 2-[(3-hydroxy-5-phenyl-1H-pyrrol-2-yl)-(p-tolylsulfonyl)amino]propanoic acid CAS Name: 2-[(3-hydroxy-5-phenyl-1H-pyrrol-2-yl)-(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 2-[(3-hydroxy-5-phenyl-1H-pyrrol-2-yl)-(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 2-[(3-hydroxy-5-phenyl-1H-pyrrol-2-yl)-tosyl-amino]propionic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(N2)C3=CC=CC=C3)O)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(N2)C3=CC=CC=C3)O)C(C)C(=O)O

InChI

InChI=1S/C20H20N2O5S/c1-13-8-10-16(11-9-13)28(26,27)22(14(2)20(24)25)19-18(23)12-17(21-19)15-6-4-3-5-7-15/h3-12,14,21,23H,1-2H3,(H,24,25)