Vercirnon (USAN/INN)

Properties Image MNX_ID MNXM162103 reference keggD:D10378 formula C22H21ClN2O4S global charge 0 mol weight 444.94 InChIKey JRWROCIMSDXGOZ-UHFFFAOYSA-N InChI InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3 SMILES CC(C)(C)C1=CC=C(S(=O)(=O)NC2=CC=C(Cl)C=C2C(=O)C2=CC=[N+]([O-])C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3 SMILES (mnx) [CH3:1][C:22]([CH3:2])([CH3:3])[C:16]1=[CH:5][CH:8]=[C:18]([S:30]([NH:24][C:20]2=[C:19]([C:21]([C:15]3=[CH:11][CH:13]=[N+:25]([O-:27])[CH:12]=[CH:10]3)=[O:26])[CH:14]=[C:17]([Cl:23])[CH:6]=[CH:9]2)(=[O:28])=[O:29])[CH:7]=[CH:4]1

Parent-child relations graph

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