N-[1-(cyclopropylsulfonylamino)-2-methyl-1-oxidanylidene-hex-5-en-2-yl]-4-[2-(trifluoromethyl)quinolin-4-yl]oxy-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: N-[1-(cyclopropylsulfonylamino)-2-methyl-1-oxidanylidene-hex-5-en-2-yl]-4-[2-(trifluoromethyl)quinolin-4-yl]oxy-pyrrolidin-1-ium-2-carboxamide Openeye Name: N-[1-(cyclopropylsulfonylcarbamoyl)-1-methyl-pent-4-enyl]-4-[[2-(trifluoromethyl)-4-quinolyl]oxy]pyrrolidin-1-ium-2-carboxamide CAS Name: N-[1-(cyclopropylsulfonylamino)-2-methyl-1-oxohex-5-en-2-yl]-4-[[2-(trifluoromethyl)-4-quinolinyl]oxy]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: N-[1-(cyclopropylsulfonylamino)-2-methyl-1-oxohex-5-en-2-yl]-4-[2-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-1-ium-2-carboxamide Traditional Name: N-[1-(cyclopropylsulfonylcarbamoyl)-1-methyl-pent-4-enyl]-4-[[2-(trifluoromethyl)-4-quinolyl]oxy]pyrrolidin-1-ium-2-carboxamide Formula: C25H30F3N4O5S+ MolecularWeight: 555.58971

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C)(C(=O)NS(=O)(=O)C1CC1)NC(=O)C2CC(C[NH2+]2)OC3=CC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CC(CCC=C)(C(=O)NS(=O)(=O)C1CC1)NC(=O)C2CC(C[NH2+]2)OC3=CC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C25H29F3N4O5S/c1-3-4-11-24(2,23(34)32-38(35,36)16-9-10-16)31-22(33)19-12-15(14-29-19)37-20-13-21(25(26,27)28)30-18-8-6-5-7-17(18)20/h3,5-8,13,15-16,19,29H,1,4,9-12,14H2,2H3,(H,31,33)(H,32,34)/p+1