(2S)-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]-N-propyl-propionamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H28N4O4S/c1-3-9-19-18(24)15(2)20-17(23)14-21-10-12-22(13-11-21)27(25,26)16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,19,24)(H,20,23)/p+1/t15-/m0/s1