3-[[5-(4-methylphenyl)thiophen-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[5-(4-methylphenyl)thiophen-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[5-(p-tolyl)thiophene-2-carbonyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[5-(4-methylphenyl)-2-thiophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[5-(4-methylphenyl)thiophene-2-carbonyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[5-(p-tolyl)thiophene-2-carbonyl]amino]propionic acid Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(S2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(S2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S2/c1-14-7-9-15(10-8-14)18-11-12-19(29-18)20(24)22-13-17(21(25)26)23-30(27,28)16-5-3-2-4-6-16/h2-12,17,23H,13H2,1H3,(H,22,24)(H,25,26)