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

Systemtic Name: dipotassium 3-[3-(2-azanylethyl)-3-(methylsulfonylamino)-5-(3-sulfonatophenyl)carbonyloxy-pentoxy]carbonylbenzenesulfonate Openeye Name: dipotassium 3-[3-(2-aminoethyl)-3-(methanesulfonamido)-5-(3-sulfonatobenzoyl)oxy-pentoxy]carbonylbenzenesulfonate CAS Name: dipotassium 3-[[3-(2-aminoethyl)-3-(methanesulfonamido)-5-[oxo-(3-sulfonatophenyl)methoxy]pentoxy]-oxomethyl]benzenesulfonate IUPAC Name: dipotassium 3-[3-(2-aminoethyl)-3-(methanesulfonamido)-5-(3-sulfonatobenzoyl)oxypentoxy]carbonylbenzenesulfonate Traditional Name: dipotassium 3-[3-(2-aminoethyl)-3-(methanesulfonamido)-5-(3-sulfonatobenzoyl)oxy-pentoxy]carbonylbesylate Formula: C22H26K2N2O12S3 MolecularWeight: 684.83964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CCN)(CCOC(=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(CCN)(CCOC(=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)24-22(8-11-23,9-12-35-20(25)16-4-2-6-18(14-16)38(29,30)31)10-13-36-21(26)17-5-3-7-19(15-17)39(32,33)34;;/h2-7,14-15,24H,8-13,23H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2