sodium 6-[[(2S)-2,6-diacetamidohexanoyl]amino]naphthalene-2-sulfonate

Systemtic Name: sodium 6-[[(2S)-2,6-diacetamidohexanoyl]amino]naphthalene-2-sulfonate Openeye Name: sodium 6-[[(2S)-2,6-diacetamidohexanoyl]amino]naphthalene-2-sulfonate CAS Name: sodium 6-[[(2S)-2,6-diacetamido-1-oxohexyl]amino]-2-naphthalenesulfonate IUPAC Name: sodium 6-[[(2S)-2,6-diacetamidohexanoyl]amino]naphthalene-2-sulfonate Traditional Name: sodium 6-[[(2S)-2,6-diacetamidohexanoyl]amino]naphthalene-2-sulfonate Formula: C20H24N3NaO6S MolecularWeight: 457.47583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC(C(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)[O-])NC(=O)C.[Na+]

Isomeric SMILES

CC(=O)NCCCC[C@@H](C(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)[O-])NC(=O)C.[Na+]

InChI

InChI=1S/C20H25N3O6S.Na/c1-13(24)21-10-4-3-5-19(22-14(2)25)20(26)23-17-8-6-16-12-18(30(27,28)29)9-7-15(16)11-17;/h6-9,11-12,19H,3-5,10H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28,29);/q;+1/p-1/t19-;/m0./s1