5-[2-(2-bromanylethanoylamino)ethylamino]naphthalene-1-sulfonic acid

Systemtic Name: 5-[2-(2-bromanylethanoylamino)ethylamino]naphthalene-1-sulfonic acid Openeye Name: 5-[2-[(2-bromoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid CAS Name: 5-[2-[(2-bromo-1-oxoethyl)amino]ethylamino]-1-naphthalenesulfonic acid IUPAC Name: 5-[2-[(2-bromoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid Traditional Name: 5-[2-[(2-bromoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid Formula: C14H15BrN2O4S MolecularWeight: 387.2489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CBr

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CBr

InChI

InChI=1S/C14H15BrN2O4S/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)