N-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(difluoromethoxy)-2-methyl-phenyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-(difluoromethoxy)-2-methylphenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(difluoromethoxy)-2-methyl-phenyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22F2N3O4S2+ MolecularWeight: 446.511786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(F)F)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)OC(F)F)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21F2N3O4S2/c1-13-11-14(27-18(19)20)4-5-15(13)21-16(24)12-22-6-8-23(9-7-22)29(25,26)17-3-2-10-28-17/h2-5,10-11,18H,6-9,12H2,1H3,(H,21,24)/p+1