3-[(1-ethynylcyclohexyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(1-ethynylcyclohexyl)amino]propane-1-sulfonic acid Openeye Name: 3-[(1-ethynylcyclohexyl)amino]propane-1-sulfonic acid CAS Name: 3-[(1-ethynylcyclohexyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[(1-ethynylcyclohexyl)amino]propane-1-sulfonic acid Traditional Name: 3-[(1-ethynylcyclohexyl)amino]propane-1-sulfonic acid Formula: C11H19NO3S MolecularWeight: 245.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)NCCCS(=O)(=O)O

Isomeric SMILES

C#CC1(CCCCC1)NCCCS(=O)(=O)O

InChI

InChI=1S/C11H19NO3S/c1-2-11(7-4-3-5-8-11)12-9-6-10-16(13,14)15/h1,12H,3-10H2,(H,13,14,15)