sodium 3-(4-ethylphenyl)-4-(pyridin-3-ylcarbonylamino)naphthalene-1-sulfonate

Systemtic Name: sodium 3-(4-ethylphenyl)-4-(pyridin-3-ylcarbonylamino)naphthalene-1-sulfonate Openeye Name: sodium 3-(4-ethylphenyl)-4-(pyridine-3-carbonylamino)naphthalene-1-sulfonate CAS Name: sodium 3-(4-ethylphenyl)-4-[[oxo(3-pyridinyl)methyl]amino]-1-naphthalenesulfonate IUPAC Name: sodium 3-(4-ethylphenyl)-4-(pyridine-3-carbonylamino)naphthalene-1-sulfonate Traditional Name: sodium 3-(4-ethylphenyl)-4-nicotinamido-naphthalene-1-sulfonate Formula: C24H19N2NaO4S MolecularWeight: 454.47343

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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=CN=CC=C4.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O4S.Na/c1-2-16-9-11-17(12-10-16)21-14-22(31(28,29)30)19-7-3-4-8-20(19)23(21)26-24(27)18-6-5-13-25-15-18;/h3-15H,2H2,1H3,(H,26,27)(H,28,29,30);/q;+1/p-1