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Metixene sulfone

Properties Image MNX_ID MNXM1595401 reference vmhM:metisulf vmhM:metisulf formula C20H24NO2S global charge 1 mol weight 342.484 InChIKey NXZRBZRYNAJDLY-UHFFFAOYSA-O InChI InChI=1S/C20H23NO2S/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)24(22,23)20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3/p+1 SMILES C[NH+]1CCCC(CC2c3ccccc3S(=O)(=O)c3ccccc32)C1 MNX internals InChI (mnx) InChI=1/C20H23NO2S/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)24(22,23)20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3/t15? SMILES (mnx) [CH3:1][N:21]1[CH2:12][CH2:6][CH2:7][CH:15]([CH2:13][CH:18]2[c:16]3[cH:8][cH:2][cH:4][cH:10][c:19]3[S:24](=[O:22])(=[O:23])[c:20]3[cH:11][cH:5][cH:3][cH:9][c:17]32)[CH2:14]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:metisulf vmhM:metisulf vmhmetabolite:metisulf vmhmetabolite:metisulf NXZRBZRYNAJDLY-UHFFFAOYSA-O	Metixene sulfone
vmhM:M_metisulf	secondary/obsolete/fantasy identifier