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

Systemtic Name: 2-azanyl-5-[(2-chloranylethanoylamino)methyl]naphthalene-1-sulfonic acid Openeye Name: 2-amino-5-[[(2-chloroacetyl)amino]methyl]naphthalene-1-sulfonic acid CAS Name: 2-amino-5-[[(2-chloro-1-oxoethyl)amino]methyl]-1-naphthalenesulfonic acid IUPAC Name: 2-amino-5-[[(2-chloroacetyl)amino]methyl]naphthalene-1-sulfonic acid Traditional Name: 2-amino-5-[[(2-chloroacetyl)amino]methyl]naphthalene-1-sulfonic acid Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)CNC(=O)CCl

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)CNC(=O)CCl

InChI

InChI=1S/C13H13ClN2O4S/c14-6-12(17)16-7-8-2-1-3-10-9(8)4-5-11(15)13(10)21(18,19)20/h1-5H,6-7,15H2,(H,16,17)(H,18,19,20)