2-azanyl-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]benzenesulfonic acid Openeye Name: 2-amino-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]benzenesulfonic acid CAS Name: 2-amino-5-[oxo-[2-(2-sulfooxyethylsulfonyl)ethylamino]methyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]benzenesulfonic acid Traditional Name: 2-amino-5-[2-(2-sulfoxyethylsulfonyl)ethylcarbamoyl]besylic acid Formula: C11H16N2O10S3 MolecularWeight: 432.44714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C11H16N2O10S3/c12-9-2-1-8(7-10(9)25(17,18)19)11(14)13-3-5-24(15,16)6-4-23-26(20,21)22/h1-2,7H,3-6,12H2,(H,13,14)(H,17,18,19)(H,20,21,22)