(2S)-2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2S)-2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2S)-2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2S)-2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2S)-2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2S)-2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C16H22BrClN3O3S+ MolecularWeight: 451.78618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrClN3O3S/c1-11(16(22)19-13-3-4-13)20-6-8-21(9-7-20)25(23,24)15-5-2-12(17)10-14(15)18/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,19,22)/p+1/t11-/m0/s1