(2S)-N-(3-cyanophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-(4-mesylpiperazin-1-ium-1-yl)propionamide Formula: C15H21N4O3S+ MolecularWeight: 337.41724

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-12(18-6-8-19(9-7-18)23(2,21)22)15(20)17-14-5-3-4-13(10-14)11-16/h3-5,10,12H,6-9H2,1-2H3,(H,17,20)/p+1/t12-/m0/s1