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

Systemtic Name: (2R)-2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C16H22ClFN3O3S+ MolecularWeight: 390.880583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H21ClFN3O3S/c1-11(16(22)19-12-2-3-12)20-6-8-21(9-7-20)25(23,24)13-4-5-15(18)14(17)10-13/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,22)/p+1/t11-/m1/s1