[3-(1-methylpiperidin-4-yl)carbonylphenyl] 2,4,5-tris(fluoranyl)benzenesulfonate; sulfane

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] 2,4,5-tris(fluoranyl)benzenesulfonate; sulfane Openeye Name: hydrogen sulfide; [3-(1-methylpiperidine-4-carbonyl)phenyl] 2,4,5-trifluorobenzenesulfonate CAS Name: sulfane; 2,4,5-trifluorobenzenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 2,4,5-trifluorobenzenesulfonate; sulfane Traditional Name: hydrogen sulfide; 2,4,5-trifluorobenzenesulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C19H20F3NO4S2 MolecularWeight: 447.49161

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=C(C=C(C(=C3)F)F)F.S

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=C(C=C(C(=C3)F)F)F.S

InChI

InChI=1S/C19H18F3NO4S.H2S/c1-23-7-5-12(6-8-23)19(24)13-3-2-4-14(9-13)27-28(25,26)18-11-16(21)15(20)10-17(18)22;/h2-4,9-12H,5-8H2,1H3;1H2