N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H24ClFN3O3S+ MolecularWeight: 440.939263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H23ClFN3O3S/c1-23-9-11-25(12-10-23)29(27,28)16-6-3-5-15(13-16)20(26)24(2)14-17-18(21)7-4-8-19(17)22/h3-8,13H,9-12,14H2,1-2H3/p+1