2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]ethanamide Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]acetamide CAS Name: 2-(2-chloro-4-fluorophenoxy)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]acetamide Formula: C23H29ClFN4O5S+ MolecularWeight: 528.016563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C23H28ClFN4O5S/c1-27-6-8-28(9-7-27)21-4-3-18(35(31,32)29-10-12-33-13-11-29)15-20(21)26-23(30)16-34-22-5-2-17(25)14-19(22)24/h2-5,14-15H,6-13,16H2,1H3,(H,26,30)/p+1