2-(2-azanylethyl)-5-(2-methylsulfonyloxyethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-(2-azanylethyl)-5-(2-methylsulfonyloxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-(2-aminoethyl)-5-(2-methylsulfonyloxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-(2-aminoethyl)-5-(2-methylsulfonyloxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-(2-aminoethyl)-5-(2-methylsulfonyloxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-(2-aminoethyl)-5-(2-methylsulfonyloxyethylsulfonyl)besylic acid Formula: C11H17NO8S3 MolecularWeight: 387.44958

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCS(=O)(=O)C1=CC(=C(C=C1)CCN)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)OCCS(=O)(=O)C1=CC(=C(C=C1)CCN)S(=O)(=O)O

InChI

InChI=1S/C11H17NO8S3/c1-21(13,14)20-6-7-22(15,16)10-3-2-9(4-5-12)11(8-10)23(17,18)19/h2-3,8H,4-7,12H2,1H3,(H,17,18,19)