1-(2,3-dihydro-1,3-benzothiazol-2-yl)butane-1-sulfonic acid

Systemtic Name: 1-(2,3-dihydro-1,3-benzothiazol-2-yl)butane-1-sulfonic acid Openeye Name: 1-(2,3-dihydro-1,3-benzothiazol-2-yl)butane-1-sulfonic acid CAS Name: 1-(2,3-dihydro-1,3-benzothiazol-2-yl)-1-butanesulfonic acid IUPAC Name: 1-(2,3-dihydro-1,3-benzothiazol-2-yl)butane-1-sulfonic acid Traditional Name: 1-(2,3-dihydro-1,3-benzothiazol-2-yl)butane-1-sulfonic acid Formula: C11H15NO3S2 MolecularWeight: 273.3717

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1NC2=CC=CC=C2S1)S(=O)(=O)O

Isomeric SMILES

CCCC(C1NC2=CC=CC=C2S1)S(=O)(=O)O

InChI

InChI=1S/C11H15NO3S2/c1-2-5-10(17(13,14)15)11-12-8-6-3-4-7-9(8)16-11/h3-4,6-7,10-12H,2,5H2,1H3,(H,13,14,15)