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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-17(19-9-5-3-6-10-19)22-21(25)18(2)23-13-15-24(16-14-23)28(26,27)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,22,25)/p+1/t17-,18+/m1/s1