methyl 3-[[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]sulfamoyl]benzoate Openeye Name: methyl 3-[[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]sulfamoyl]benzoate CAS Name: 3-[[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]sulfamoyl]benzoate Traditional Name: 3-[[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]sulfamoyl]benzoic acid methyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N2O4S/c1-21(2,23-12-11-16-7-4-5-8-18(16)14-23)15-22-28(25,26)19-10-6-9-17(13-19)20(24)27-3/h4-10,13,22H,11-12,14-15H2,1-3H3/p+1