(2S)-2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propanamide

Systemtic Name: (2S)-2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propanamide Openeye Name: (2S)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propanamide CAS Name: (2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cycloheptylpropanamide IUPAC Name: (2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptylpropanamide Traditional Name: (2S)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-propionamide Formula: C20H30ClFN3O3S+ MolecularWeight: 446.986903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H29ClFN3O3S/c1-15(20(26)23-16-6-4-2-3-5-7-16)24-10-12-25(13-11-24)29(27,28)17-8-9-19(22)18(21)14-17/h8-9,14-16H,2-7,10-13H2,1H3,(H,23,26)/p+1/t15-/m0/s1