(2R)-2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanylpropanamide

Systemtic Name: (2R)-2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanylpropanamide Openeye Name: (2R)-2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-2-[[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-2-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: (2R)-2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionamide Formula: C19H25N4O3S2+ MolecularWeight: 421.5568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N)SC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S2/c1-15(19(20)24)27-18-8-7-17(13-21-18)28(25,26)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H2,20,24)/p+1/t15-/m1/s1