3-(4-methylsulfonylbutan-2-ylsulfonylamino)-4-sulfinooxy-benzenesulfonic acid

Systemtic Name: 3-(4-methylsulfonylbutan-2-ylsulfonylamino)-4-sulfinooxy-benzenesulfonic acid Openeye Name: 3-[(1-methyl-3-methylsulfonyl-propyl)sulfonylamino]-4-sulfinooxy-benzenesulfonic acid CAS Name: 3-(4-methylsulfonylbutan-2-ylsulfonylamino)-4-sulfinooxybenzenesulfonic acid IUPAC Name: 3-(4-methylsulfonylbutan-2-ylsulfonylamino)-4-sulfinooxybenzenesulfonic acid Traditional Name: 3-[(3-mesyl-1-methyl-propyl)sulfonylamino]-4-sulfinooxy-besylic acid Formula: C11H17NO10S4 MolecularWeight: 451.51338

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)C)S(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)O)OS(=O)O

Isomeric SMILES

CC(CCS(=O)(=O)C)S(=O)(=O)NC1=C(C=CC(=C1)S(=O)(=O)O)OS(=O)O

InChI

InChI=1S/C11H17NO10S4/c1-8(5-6-24(2,15)16)25(17,18)12-10-7-9(26(19,20)21)3-4-11(10)22-23(13)14/h3-4,7-8,12H,5-6H2,1-2H3,(H,13,14)(H,19,20,21)