sodium 3-(4-ethylphenyl)-4-(2-methylpropanoylamino)naphthalene-1-sulfonate

Systemtic Name: sodium 3-(4-ethylphenyl)-4-(2-methylpropanoylamino)naphthalene-1-sulfonate Openeye Name: sodium 3-(4-ethylphenyl)-4-(2-methylpropanoylamino)naphthalene-1-sulfonate CAS Name: sodium 3-(4-ethylphenyl)-4-[(2-methyl-1-oxopropyl)amino]-1-naphthalenesulfonate IUPAC Name: sodium 3-(4-ethylphenyl)-4-(2-methylpropanoylamino)naphthalene-1-sulfonate Traditional Name: sodium 3-(4-ethylphenyl)-4-(isobutyrylamino)naphthalene-1-sulfonate Formula: C22H22NNaO4S MolecularWeight: 419.46915

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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)C(C)C.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S.Na/c1-4-15-9-11-16(12-10-15)19-13-20(28(25,26)27)17-7-5-6-8-18(17)21(19)23-22(24)14(2)3;/h5-14H,4H2,1-3H3,(H,23,24)(H,25,26,27);/q;+1/p-1