sodium 5-[2-(2-iodanylethanoylamino)ethylamino]naphthalene-1-sulfonate

Systemtic Name: sodium 5-[2-(2-iodanylethanoylamino)ethylamino]naphthalene-1-sulfonate Openeye Name: sodium 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonate CAS Name: sodium 5-[2-[(2-iodo-1-oxoethyl)amino]ethylamino]-1-naphthalenesulfonate IUPAC Name: sodium 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonate Traditional Name: sodium 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonate Formula: C14H14IN2NaO4S MolecularWeight: 456.2312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)NCCNC(=O)CI.[Na+]

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)NCCNC(=O)CI.[Na+]

InChI

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