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

Systemtic Name: 2-methyl-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]benzenesulfonic acid Openeye Name: 2-methyl-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]benzenesulfonic acid CAS Name: 2-methyl-5-[oxo-[2-(2-sulfooxyethylsulfonyl)ethylamino]methyl]benzenesulfonic acid IUPAC Name: 2-methyl-5-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoyl]benzenesulfonic acid Traditional Name: 2-methyl-5-[2-(2-sulfoxyethylsulfonyl)ethylcarbamoyl]besylic acid Formula: C12H17NO10S3 MolecularWeight: 431.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H17NO10S3/c1-9-2-3-10(8-11(9)25(17,18)19)12(14)13-4-6-24(15,16)7-5-23-26(20,21)22/h2-3,8H,4-7H2,1H3,(H,13,14)(H,17,18,19)(H,20,21,22)