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

Systemtic Name: (2S)-N-aminocarbonyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-carbamoyl-propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-carbamoylpropanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-carbamoylpropanamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N-carbamoyl-propionamide Formula: C14H21N4O4S+ MolecularWeight: 341.40594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-11(13(19)16-14(15)20)17-7-9-18(10-8-17)23(21,22)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H3,15,16,19,20)/p+1/t11-/m0/s1