N-(3-methylsulfonylphenyl)-2-[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylsulfonylphenyl)-2-[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methylsulfonylphenyl)-2-[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]acetamide CAS Name: 2-[(2S)-2-[[[anilino(oxo)methyl]amino]methyl]-1-piperidin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: N-(3-methylsulfonylphenyl)-2-[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-mesylphenyl)-2-[(2S)-2-[(phenylcarbamoylamino)methyl]piperidin-1-ium-1-yl]acetamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCCCC2CNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCCC[C@H]2CNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-31(29,30)20-12-7-10-18(14-20)24-21(27)16-26-13-6-5-11-19(26)15-23-22(28)25-17-8-3-2-4-9-17/h2-4,7-10,12,14,19H,5-6,11,13,15-16H2,1H3,(H,24,27)(H2,23,25,28)/p+1/t19-/m0/s1