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

Systemtic Name: 2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-ethanamide Openeye Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-propyl-acetamide CAS Name: 2-[[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]-N-propylacetamide IUPAC Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-propylacetamide Traditional Name: 2-[[2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-N-propyl-acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O4S/c1-2-8-19-17(23)13-20-18(24)14-21-9-11-22(12-10-21)27(25,26)15-16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3,(H,19,23)(H,20,24)/p+1