(2S)-N-(5-chloranylpyridin-2-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(5-chloranylpyridin-2-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-chloro-2-pyridyl)propanamide CAS Name: (2S)-N-(5-chloro-2-pyridinyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-chloropyridin-2-yl)propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-chloro-2-pyridyl)propionamide Formula: C19H24ClN4O3S+ MolecularWeight: 423.93686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H23ClN4O3S/c1-15(19(25)22-18-8-7-17(20)13-21-18)23-9-11-24(12-10-23)28(26,27)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,21,22,25)/p+1/t15-/m0/s1