N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H22ClFN3O4S+ MolecularWeight: 442.912083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3O4S/c1-28-18-7-4-15(12-17(18)20)22-19(25)13-23-8-10-24(11-9-23)29(26,27)16-5-2-14(21)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1