N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(thiophen-2-ylsulfonylamino)benzamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(thiophen-2-ylsulfonylamino)benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(2-thienylsulfonylamino)benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-(thiophen-2-ylsulfonylamino)benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(thiophen-2-ylsulfonylamino)benzamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(2-thienylsulfonylamino)benzamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-16-8-4-5-13-23(16)14-7-12-21-20(24)17-9-2-3-10-18(17)22-28(25,26)19-11-6-15-27-19/h2-3,6,9-11,15-16,22H,4-5,7-8,12-14H2,1H3,(H,21,24)/p+1/t16-/m0/s1