3-[3-(2-azanylethyl)-3-(methylsulfonylamino)-5-(3-sulfophenyl)carbonyloxy-pentoxy]carbonylbenzenesulfonic acid

Systemtic Name: 3-[3-(2-azanylethyl)-3-(methylsulfonylamino)-5-(3-sulfophenyl)carbonyloxy-pentoxy]carbonylbenzenesulfonic acid Openeye Name: 3-[3-(2-aminoethyl)-3-(methanesulfonamido)-5-(3-sulfobenzoyl)oxy-pentoxy]carbonylbenzenesulfonic acid CAS Name: 3-[[3-(2-aminoethyl)-3-(methanesulfonamido)-5-[oxo-(3-sulfophenyl)methoxy]pentoxy]-oxomethyl]benzenesulfonic acid IUPAC Name: 3-[3-(2-aminoethyl)-3-(methanesulfonamido)-5-(3-sulfobenzoyl)oxypentoxy]carbonylbenzenesulfonic acid Traditional Name: 3-[3-(2-aminoethyl)-3-(methanesulfonamido)-5-(3-sulfobenzoyl)oxy-pentoxy]carbonylbesylic acid Formula: C22H28N2O12S3 MolecularWeight: 608.65892

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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

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

InChI

InChI=1S/C22H28N2O12S3/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)