3-(2,3-dihydro-1,4-benzothiazin-4-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)propane-1-sulfonic acid Openeye Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)propane-1-sulfonic acid CAS Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)-1-propanesulfonic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)propane-1-sulfonic acid Traditional Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)propane-1-sulfonic acid Formula: C11H15NO3S2 MolecularWeight: 273.3717

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N1CCCS(=O)(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2N1CCCS(=O)(=O)O

InChI

InChI=1S/C11H15NO3S2/c13-17(14,15)9-3-6-12-7-8-16-11-5-2-1-4-10(11)12/h1-2,4-5H,3,6-9H2,(H,13,14,15)