955534-89-1
BENZENESULFONAMIDE, N-[5-[(3,4-DIHYDRO-2(1H)-ISOQUINOLINYL)CARBONYL]-4-METHYL-2-THIAZOLYL]-4-METHOXY-
NameBENZENESULFONAMIDE, N-[5-[(3,4-DIHYDRO-2(1H)-ISOQUINOLINYL)CARBONYL]-4-METHYL-2-THIAZOLYL]-4-METHOXY-
pro_formulaC21 H21 N3 O4 S2
1Identification
【Name】
BENZENESULFONAMIDE, N-[5-[(3,4-DIHYDRO-2(1H)-ISOQUINOLINYL)CARBONYL]-4-METHYL-2-THIAZOLYL]-4-METHOXY-
【CAS】
【MDL】
MFCD15528126
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H21 N3 O4 S2
【pro_molWeight】
443.546
【Inchi】
InChI=1S/C21H21N3O4S2/c1-14-19(20(25)24-12-11-15-5-3-4-6-16(15)13-24)29-21(22-14)23-30(26,27)18-9-7-17(28-2)8-10-18/h3-10H,11-13H2,1-2H3,(H,22,23)
【InChIKey】
InChIKey=OLIUHFGMOCLXSC-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)NS(=O)(=O)c2ccc(cc2)OC)C(=O)N3CCc4ccccc4C3
【MOL File】
BENZENESULFONAMIDE, ….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BENZENESULFONAMIDE, N-[5-[(3,4-DIHYDRO-2(1H)-ISOQUINOLINYL)CARBONYL]-4-METHYL-2-THIAZOLYL]-4-METHOXY-.cml