N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-5-sulfamoyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-5-sulfamoyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-5-sulfamoyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-5-sulfamoylbenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-5-sulfamoylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-5-sulfamoyl-benzamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27N3O3S/c1-3-18(24-11-10-16-6-4-5-7-17(16)14-24)13-23-21(25)20-12-19(28(22,26)27)9-8-15(20)2/h4-9,12,18H,3,10-11,13-14H2,1-2H3,(H,23,25)(H2,22,26,27)