5-acetamido-2-[(E)-2-[4-(2-iodanylethanoylamino)-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: 5-acetamido-2-[(E)-2-[4-(2-iodanylethanoylamino)-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: 5-acetamido-2-[(E)-2-[4-[(2-iodoacetyl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: 5-acetamido-2-[(E)-2-[4-[(2-iodo-1-oxoethyl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: 5-acetamido-2-[(E)-2-[4-[(2-iodoacetyl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: 5-acetamido-2-[(E)-2-[4-[(2-iodoacetyl)amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C18H15IN2O8S2-2 MolecularWeight: 578.35477

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)NC(=O)CI)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)NC(=O)CI)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C18H17IN2O8S2/c1-11(22)20-14-6-4-12(16(8-14)30(24,25)26)2-3-13-5-7-15(21-18(23)10-19)9-17(13)31(27,28)29/h2-9H,10H2,1H3,(H,20,22)(H,21,23)(H,24,25,26)(H,27,28,29)/p-2/b3-2+