2-[(4-iodophenyl)sulfonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(4-iodophenyl)sulfonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(4-iodophenyl)sulfonylamino]-3-methyl-pentanoic acid CAS Name: 2-[(4-iodophenyl)sulfonylamino]-3-methylpentanoic acid IUPAC Name: 2-[(4-iodophenyl)sulfonylamino]-3-methylpentanoic acid Traditional Name: 2-[(4-iodophenyl)sulfonylamino]-3-methyl-valeric acid Formula: C12H16INO4S MolecularWeight: 397.22921

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)I

Isomeric SMILES

CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C12H16INO4S/c1-3-8(2)11(12(15)16)14-19(17,18)10-6-4-9(13)5-7-10/h4-8,11,14H,3H2,1-2H3,(H,15,16)