2-[(4-iodophenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid

Systemtic Name: 2-[(4-iodophenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[(4-iodophenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[(4-iodophenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[(4-iodophenyl)sulfonyl-[(2-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[(4-iodophenyl)sulfonyl-(2-nitrobenzyl)amino]propionic acid Formula: C16H15IN2O6S MolecularWeight: 490.26957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C16H15IN2O6S/c1-11(16(20)21)18(10-12-4-2-3-5-15(12)19(22)23)26(24,25)14-8-6-13(17)7-9-14/h2-9,11H,10H2,1H3,(H,20,21)