sodium 2-[2-(2-methyloctanoylamino)hexanoyloxy]benzenesulfonate

Systemtic Name: sodium 2-[2-(2-methyloctanoylamino)hexanoyloxy]benzenesulfonate Openeye Name: sodium 2-[2-(2-methyloctanoylamino)hexanoyloxy]benzenesulfonate CAS Name: sodium 2-[2-[(2-methyl-1-oxooctyl)amino]-1-oxohexoxy]benzenesulfonate IUPAC Name: sodium 2-[2-(2-methyloctanoylamino)hexanoyloxy]benzenesulfonate Traditional Name: sodium 2-[2-(2-methyloctanoylamino)hexanoyloxy]besylate Formula: C21H32NNaO6S MolecularWeight: 449.53665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)NC(CCCC)C(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(C)C(=O)NC(CCCC)C(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H33NO6S.Na/c1-4-6-8-9-12-16(3)20(23)22-17(13-7-5-2)21(24)28-18-14-10-11-15-19(18)29(25,26)27;/h10-11,14-17H,4-9,12-13H2,1-3H3,(H,22,23)(H,25,26,27);/q;+1/p-1