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

Systemtic Name: (2S)-N-(4-chlorophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-chlorophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-chlorophenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-chlorophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-chlorophenyl)-2-(4-mesylpiperazin-1-ium-1-yl)propionamide Formula: C14H21ClN3O3S+ MolecularWeight: 346.85284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O3S/c1-11(14(19)16-13-5-3-12(15)4-6-13)17-7-9-18(10-8-17)22(2,20)21/h3-6,11H,7-10H2,1-2H3,(H,16,19)/p+1/t11-/m0/s1