1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(1,3-benzothiazol-2-yl)methyl]isonipecotic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N2O4S/c24-21(25)13-7-9-23(10-8-13)19(14-5-6-16-17(11-14)27-12-26-16)20-22-15-3-1-2-4-18(15)28-20/h1-6,11,13,19H,7-10,12H2,(H,24,25)