3-(4-cyanophenyl)-2-[(4-iodophenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(4-cyanophenyl)-2-[(4-iodophenyl)sulfonylamino]propanoic acid Openeye Name: 3-(4-cyanophenyl)-2-[(4-iodophenyl)sulfonylamino]propanoic acid CAS Name: 3-(4-cyanophenyl)-2-[(4-iodophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(4-cyanophenyl)-2-[(4-iodophenyl)sulfonylamino]propanoic acid Traditional Name: 3-(4-cyanophenyl)-2-[(4-iodophenyl)sulfonylamino]propionic acid Formula: C16H13IN2O4S MolecularWeight: 456.25489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)I)C#N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)I)C#N

InChI

InChI=1S/C16H13IN2O4S/c17-13-5-7-14(8-6-13)24(22,23)19-15(16(20)21)9-11-1-3-12(10-18)4-2-11/h1-8,15,19H,9H2,(H,20,21)