3-[(5-iodanylthiophen-2-yl)carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(5-iodanylthiophen-2-yl)carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(5-iodothiophene-2-carbonyl)amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[(5-iodo-2-thiophenyl)-oxomethyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(5-iodothiophene-2-carbonyl)amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(5-iodothiophene-2-carbonyl)amino]-2-(mesitylsulfonylamino)propionic acid Formula: C17H19IN2O5S2 MolecularWeight: 522.37763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=CC=C(S2)I)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=CC=C(S2)I)C(=O)O)C

InChI

InChI=1S/C17H19IN2O5S2/c1-9-6-10(2)15(11(3)7-9)27(24,25)20-12(17(22)23)8-19-16(21)13-4-5-14(18)26-13/h4-7,12,20H,8H2,1-3H3,(H,19,21)(H,22,23)