N-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27N3O4S/c1-3-24(4-2)29(27,28)18-9-10-20(25)19(13-18)22-21(26)15-23-12-11-16-7-5-6-8-17(16)14-23/h5-10,13,25H,3-4,11-12,14-15H2,1-2H3,(H,22,26)/p+1