5-[[4-(2-iodanylethanoylamino)phenyl]amino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[4-(2-iodanylethanoylamino)phenyl]amino]naphthalene-2-sulfonic acid Openeye Name: 5-[4-[(2-iodoacetyl)amino]anilino]naphthalene-2-sulfonic acid CAS Name: 5-[4-[(2-iodo-1-oxoethyl)amino]anilino]-2-naphthalenesulfonic acid IUPAC Name: 5-[4-[(2-iodoacetyl)amino]anilino]naphthalene-2-sulfonic acid Traditional Name: 5-[4-[(2-iodoacetyl)amino]anilino]naphthalene-2-sulfonic acid Formula: C18H15IN2O4S MolecularWeight: 482.29217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC3=CC=C(C=C3)NC(=O)CI

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC3=CC=C(C=C3)NC(=O)CI

InChI

InChI=1S/C18H15IN2O4S/c19-11-18(22)21-14-6-4-13(5-7-14)20-17-3-1-2-12-10-15(26(23,24)25)8-9-16(12)17/h1-10,20H,11H2,(H,21,22)(H,23,24,25)