2-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-(trifluoromethyl)benzenesulfonamide Openeye Name: 2-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-(trifluoromethyl)benzenesulfonamide CAS Name: 2-chloro-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-5-(trifluoromethyl)benzenesulfonamide IUPAC Name: 2-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-(trifluoromethyl)benzenesulfonamide Traditional Name: 2-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-(trifluoromethyl)benzenesulfonamide Formula: C18H20ClF3N3O4S2+ MolecularWeight: 498.94731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClF3N3O4S2/c1-24-8-10-25(11-9-24)31(28,29)15-5-3-14(4-6-15)23-30(26,27)17-12-13(18(20,21)22)2-7-16(17)19/h2-7,12,23H,8-11H2,1H3/p+1