2-[[4-azanyl-3,5-bis(iodanyl)phenyl]sulfonylamino]-5-methyl-hexanoic acid

Systemtic Name: 2-[[4-azanyl-3,5-bis(iodanyl)phenyl]sulfonylamino]-5-methyl-hexanoic acid Openeye Name: 2-[(4-amino-3,5-diiodo-phenyl)sulfonylamino]-5-methyl-hexanoic acid CAS Name: 2-[(4-amino-3,5-diiodophenyl)sulfonylamino]-5-methylhexanoic acid IUPAC Name: 2-[(4-amino-3,5-diiodophenyl)sulfonylamino]-5-methylhexanoic acid Traditional Name: 2-[(4-amino-3,5-diiodo-phenyl)sulfonylamino]-5-methyl-hexanoic acid Formula: C13H18I2N2O4S MolecularWeight: 552.16696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18I2N2O4S/c1-7(2)3-4-11(13(18)19)17-22(20,21)8-5-9(14)12(16)10(15)6-8/h5-7,11,17H,3-4,16H2,1-2H3,(H,18,19)