sodium 2-[2-[hexanoyl-(nonanoylamino)amino]hexanoyloxy]benzenesulfonate

Systemtic Name: sodium 2-[2-[hexanoyl-(nonanoylamino)amino]hexanoyloxy]benzenesulfonate Openeye Name: sodium 2-[2-[hexanoyl-(nonanoylamino)amino]hexanoyloxy]benzenesulfonate CAS Name: sodium 2-[1-oxo-2-[1-oxohexyl-(1-oxononylamino)amino]hexoxy]benzenesulfonate IUPAC Name: sodium 2-[2-[hexanoyl-(nonanoylamino)amino]hexanoyloxy]benzenesulfonate Traditional Name: sodium 2-[2-[caproyl-(pelargonylamino)amino]hexanoyloxy]besylate Formula: C27H43N2NaO7S MolecularWeight: 562.69429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NN(C(CCCC)C(=O)OC1=CC=CC=C1S(=O)(=O)[O-])C(=O)CCCCC.[Na+]

Isomeric SMILES

CCCCCCCCC(=O)NN(C(CCCC)C(=O)OC1=CC=CC=C1S(=O)(=O)[O-])C(=O)CCCCC.[Na+]

InChI

InChI=1S/C27H44N2O7S.Na/c1-4-7-10-11-12-14-20-25(30)28-29(26(31)21-13-8-5-2)22(17-9-6-3)27(32)36-23-18-15-16-19-24(23)37(33,34)35;/h15-16,18-19,22H,4-14,17,20-21H2,1-3H3,(H,28,30)(H,33,34,35);/q;+1/p-1