sodium 3-(4-ethylphenyl)-4-[(2-fluorophenyl)carbonylamino]naphthalene-1-sulfonate

Systemtic Name: sodium 3-(4-ethylphenyl)-4-[(2-fluorophenyl)carbonylamino]naphthalene-1-sulfonate Openeye Name: sodium 3-(4-ethylphenyl)-4-[(2-fluorobenzoyl)amino]naphthalene-1-sulfonate CAS Name: sodium 3-(4-ethylphenyl)-4-[[(2-fluorophenyl)-oxomethyl]amino]-1-naphthalenesulfonate IUPAC Name: sodium 3-(4-ethylphenyl)-4-[(2-fluorobenzoyl)amino]naphthalene-1-sulfonate Traditional Name: sodium 3-(4-ethylphenyl)-4-[(2-fluorobenzoyl)amino]naphthalene-1-sulfonate Formula: C25H19FNNaO4S MolecularWeight: 471.475833

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])NC(=O)C4=CC=CC=C4F.[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])NC(=O)C4=CC=CC=C4F.[Na+]

InChI

InChI=1S/C25H20FNO4S.Na/c1-2-16-11-13-17(14-12-16)21-15-23(32(29,30)31)18-7-3-4-8-19(18)24(21)27-25(28)20-9-5-6-10-22(20)26;/h3-15H,2H2,1H3,(H,27,28)(H,29,30,31);/q;+1/p-1