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

Systemtic Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)propane-1-sulfonate Openeye Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)propane-1-sulfonate CAS Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)-1-propanesulfonate IUPAC Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)propane-1-sulfonate Traditional Name: 3-(2,3-dihydro-1,4-benzothiazin-4-yl)propane-1-sulfonate Formula: C11H14NO3S2- MolecularWeight: 272.36376

Click to see the large picture

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)/p-1