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0T0

Summary
Name:3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide
Formula:C17 H18 N2 O3 S
Formal charge:0
Formula weight:330.401 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide
OpenEye OEToolkits1.7.63-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC)c1cc(ccc1)S(=O)(=O)N3Cc2c(cccc2)CC3
InChIInChI1.03InChI=1S/C17H18N2O3S/c1-18-17(20)14-7-4-8-16(11-14)23(21,22)19-10-9-13-5-2-3-6-15(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyInChI1.03PBBCJGRZQLBCCD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CNC(=O)c1cccc(c1)[S](=O)(=O)N2CCc3ccccc3C2
SMILESCACTVS3.370CNC(=O)c1cccc(c1)[S](=O)(=O)N2CCc3ccccc3C2
SMILES_CANONICALOpenEye OEToolkits1.7.6CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2
SMILESOpenEye OEToolkits1.7.6CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2

218853

PDB entries from 2024-04-24

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