N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide

Systemtic Name: N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide Openeye Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-3-(propylsulfonylamino)benzamide CAS Name: N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-3-(propylsulfonylamino)benzamide IUPAC Name: N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-3-(propylsulfonylamino)benzamide Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3

InChI

InChI=1S/C19H26N4O3S2/c1-2-11-28(25,26)22-16-8-6-7-15(12-16)18(24)21-19-20-17(14-27-19)13-23-9-4-3-5-10-23/h6-8,12,14,22H,2-5,9-11,13H2,1H3,(H,20,21,24)/p+1