2-(2-methylphenoxy)-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]ethanamide

Systemtic Name: 2-(2-methylphenoxy)-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]ethanamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-(2-methylphenoxy)acetamide CAS Name: 2-(2-methylphenoxy)-N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]acetamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-(2-methylphenoxy)acetamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-19-7-5-6-10-21(19)29-18-22(26)23-11-16-30(27,28)25-14-12-24(13-15-25)17-20-8-3-2-4-9-20/h2-10H,11-18H2,1H3,(H,23,26)/p+1