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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methoxy-5-sulfamoyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methoxy-5-sulfamoyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methoxy-5-sulfamoylbenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methoxy-5-sulfamoylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methoxy-5-sulfamoyl-benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-21(2,24-11-10-15-6-4-5-7-16(15)13-24)14-23-20(25)18-12-17(29(22,26)27)8-9-19(18)28-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,23,25)(H2,22,26,27)