8-[2-(2-iodanylethanoylamino)ethylamino]naphthalene-1-sulfonate

Systemtic Name: 8-[2-(2-iodanylethanoylamino)ethylamino]naphthalene-1-sulfonate Openeye Name: 8-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonate CAS Name: 8-[2-[(2-iodo-1-oxoethyl)amino]ethylamino]-1-naphthalenesulfonate IUPAC Name: 8-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonate Traditional Name: 8-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonate Formula: C14H14IN2O4S- MolecularWeight: 433.24143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15IN2O4S/c15-9-13(18)17-8-7-16-11-5-1-3-10-4-2-6-12(14(10)11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)/p-1