N-[2-[bis(fluoranyl)methoxy]phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-[bis(fluoranyl)methoxy]phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(difluoromethoxy)phenyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[2-(difluoromethoxy)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C19H22F2N3O4S+ MolecularWeight: 426.457486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3OC(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3OC(F)F

InChI

InChI=1S/C19H21F2N3O4S/c1-23-9-11-24(12-10-23)29(26,27)15-6-4-5-14(13-15)18(25)22-16-7-2-3-8-17(16)28-19(20)21/h2-8,13,19H,9-12H2,1H3,(H,22,25)/p+1