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0FZ

Summary
Name:4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
Formula:C16 H16 N2 O3 S
Formal charge:0
Formula weight:316.375 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
OpenEye OEToolkits1.7.64-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c3ccc(C1=NCCc2cc(OC)ccc12)cc3
InChIInChI1.03InChI=1S/C16H16N2O3S/c1-21-13-4-7-15-12(10-13)8-9-18-16(15)11-2-5-14(6-3-11)22(17,19)20/h2-7,10H,8-9H2,1H3,(H2,17,19,20)
InChIKeyInChI1.03RZQVMYVIRNCVDY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccc2c(CCN=C2c3ccc(cc3)[S](N)(=O)=O)c1
SMILESCACTVS3.370COc1ccc2c(CCN=C2c3ccc(cc3)[S](N)(=O)=O)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N

218500

PDB entries from 2024-04-17

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