2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-acetamide Formula: C18H26BrClN3O3S+ MolecularWeight: 479.83934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H25BrClN3O3S/c19-14-6-7-17(16(20)12-14)27(25,26)23-10-8-22(9-11-23)13-18(24)21-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,21,24)/p+1