2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-N-methyl-benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-N-methyl-benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-N-methyl-benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-N-methylbenzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(4-fluorobenzyl)-N-methyl-benzamide Formula: C21H26ClFN3O3S+ MolecularWeight: 454.965843

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25ClFN3O3S/c1-3-25-10-12-26(13-11-25)30(28,29)18-8-9-20(22)19(14-18)21(27)24(2)15-16-4-6-17(23)7-5-16/h4-9,14H,3,10-13,15H2,1-2H3/p+1