dipotassium 3-[3-(methylsulfonylamino)-5-[2-(3-sulfonatophenyl)carbonyloxyethylamino]pentoxy]carbonylbenzenesulfonate

Systemtic Name: dipotassium 3-[3-(methylsulfonylamino)-5-[2-(3-sulfonatophenyl)carbonyloxyethylamino]pentoxy]carbonylbenzenesulfonate Openeye Name: dipotassium 3-[3-(methanesulfonamido)-5-[2-(3-sulfonatobenzoyl)oxyethylamino]pentoxy]carbonylbenzenesulfonate CAS Name: dipotassium 3-[[3-(methanesulfonamido)-5-[2-[oxo-(3-sulfonatophenyl)methoxy]ethylamino]pentoxy]-oxomethyl]benzenesulfonate IUPAC Name: dipotassium 3-[3-(methanesulfonamido)-5-[2-(3-sulfonatobenzoyl)oxyethylamino]pentoxy]carbonylbenzenesulfonate Traditional Name: dipotassium 3-[3-(methanesulfonamido)-5-[2-(3-sulfonatobenzoyl)oxyethylamino]pentoxy]carbonylbesylate Formula: C22H26K2N2O12S3 MolecularWeight: 684.83964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CCNCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)[O-])CCOC(=O)C2=CC(=CC=C2)S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

CS(=O)(=O)NC(CCNCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)[O-])CCOC(=O)C2=CC(=CC=C2)S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C22H28N2O12S3.2K/c1-37(27,28)24-18(9-12-35-21(25)16-4-2-6-19(14-16)38(29,30)31)8-10-23-11-13-36-22(26)17-5-3-7-20(15-17)39(32,33)34;;/h2-7,14-15,18,23-24H,8-13H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2