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

Systemtic Name: (2S)-N-ethyl-N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N-ethyl-N-phenyl-propionamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-3-24(19-10-6-4-7-11-19)21(25)18(2)22-14-16-23(17-15-22)28(26,27)20-12-8-5-9-13-20/h4-13,18H,3,14-17H2,1-2H3/p+1/t18-/m0/s1