N-(2-phenoxyethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-phenoxyethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenoxyethyl)acetamide CAS Name: N-(2-phenoxyethyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenoxyethyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenoxyethyl)acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCOC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCOC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c25-21(22-11-16-28-20-9-5-2-6-10-20)17-23-12-14-24(15-13-23)29(26,27)18-19-7-3-1-4-8-19/h1-10H,11-18H2,(H,22,25)/p+1