2-azanyl-5-[(2-bromanylprop-2-enoylamino)methyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-azanyl-5-[(2-bromanylprop-2-enoylamino)methyl]naphthalene-1-sulfonic acid Openeye Name: 2-amino-5-[(2-bromoprop-2-enoylamino)methyl]naphthalene-1-sulfonic acid CAS Name: 2-amino-5-[[(2-bromo-1-oxoprop-2-enyl)amino]methyl]-1-naphthalenesulfonic acid IUPAC Name: 2-amino-5-[(2-bromoprop-2-enoylamino)methyl]naphthalene-1-sulfonic acid Traditional Name: 2-amino-5-[[(2-bromoacryloyl)amino]methyl]naphthalene-1-sulfonic acid Formula: C14H13BrN2O4S MolecularWeight: 385.23302

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NCC1=CC=CC2=C1C=CC(=C2S(=O)(=O)O)N)Br

Isomeric SMILES

C=C(C(=O)NCC1=CC=CC2=C1C=CC(=C2S(=O)(=O)O)N)Br

InChI

InChI=1S/C14H13BrN2O4S/c1-8(15)14(18)17-7-9-3-2-4-11-10(9)5-6-12(16)13(11)22(19,20)21/h2-6H,1,7,16H2,(H,17,18)(H,19,20,21)