2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide Formula: C19H28BrClN3O3S+ MolecularWeight: 493.86592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H27BrClN3O3S/c1-14-4-2-3-5-17(14)22-19(25)13-23-8-10-24(11-9-23)28(26,27)18-7-6-15(20)12-16(18)21/h6-7,12,14,17H,2-5,8-11,13H2,1H3,(H,22,25)/p+1/t14-,17+/m0/s1