2-(2-cyanoethanoylamino)naphthalene-1-sulfonic acid

Systemtic Name: 2-(2-cyanoethanoylamino)naphthalene-1-sulfonic acid Openeye Name: 2-[(2-cyanoacetyl)amino]naphthalene-1-sulfonic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-1-naphthalenesulfonic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]naphthalene-1-sulfonic acid Traditional Name: 2-[(2-cyanoacetyl)amino]naphthalene-1-sulfonic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)NC(=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)NC(=O)CC#N

InChI

InChI=1S/C13H10N2O4S/c14-8-7-12(16)15-11-6-5-9-3-1-2-4-10(9)13(11)20(17,18)19/h1-6H,7H2,(H,15,16)(H,17,18,19)