HIT ID: HIT101443751
Cas No: 1360614-48-7
分子式: C18H15N5O6S2
分子量: 461.47
常用名: Necrosulfonamide
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 4.077
IUPAC: (2E)-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-(5-nitrothiophen-2-yl)prop-2-enamide
IUPAC: (2E)-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-(5-nitrothiophen-2-yl)prop-2-enamide
SMILES: COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)cc1
SMILES: COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)cc1
InChI key: FNPPHVLYVGMZMZ-XBXARRHUSA-N
