(2S)-N-(3-cyanophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-cyanophenyl)propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(3-cyanophenyl)propanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-cyanophenyl)propanamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N-(3-cyanophenyl)propionamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-16(20(25)22-18-7-5-6-17(14-18)15-21)23-10-12-24(13-11-23)28(26,27)19-8-3-2-4-9-19/h2-9,14,16H,10-13H2,1H3,(H,22,25)/p+1/t16-/m0/s1