5-[2-cyanoethyl(ethyl)amino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[2-cyanoethyl(ethyl)amino]naphthalene-2-sulfonic acid Openeye Name: 5-[2-cyanoethyl(ethyl)amino]naphthalene-2-sulfonic acid CAS Name: 5-[2-cyanoethyl(ethyl)amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[2-cyanoethyl(ethyl)amino]naphthalene-2-sulfonic acid Traditional Name: 5-[2-cyanoethyl(ethyl)amino]naphthalene-2-sulfonic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC=CC2=C1C=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CCN(CCC#N)C1=CC=CC2=C1C=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-2-17(10-4-9-16)15-6-3-5-12-11-13(21(18,19)20)7-8-14(12)15/h3,5-8,11H,2,4,10H2,1H3,(H,18,19,20)