methyl 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]-4-methyl-benzoate Openeye Name: methyl 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]-4-methyl-benzoate CAS Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]-4-methylbenzoate Traditional Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfamoyl]-4-methyl-benzoic acid methyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCCN2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCCN2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H28N2O6S/c1-15-5-6-17(22(25)30-4)13-21(15)31(26,27)23-8-10-24-9-7-16-11-19(28-2)20(29-3)12-18(16)14-24/h5-6,11-13,23H,7-10,14H2,1-4H3