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

Systemtic Name: (2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-chloranylpyridin-2-yl)propanamide Openeye Name: (2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-chloro-2-pyridyl)propanamide CAS Name: (2S)-2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-chloro-2-pyridinyl)propanamide IUPAC Name: (2S)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-chloropyridin-2-yl)propanamide Traditional Name: (2S)-2-(4-brosylpiperazin-1-ium-1-yl)-N-(5-chloro-2-pyridyl)propionamide Formula: C18H21BrClN4O3S+ MolecularWeight: 488.80634

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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)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrClN4O3S/c1-13(18(25)22-17-7-4-15(20)12-21-17)23-8-10-24(11-9-23)28(26,27)16-5-2-14(19)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,21,22,25)/p+1/t13-/m0/s1