5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-methyl-furan-2-carboxylate

Systemtic Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-methyl-2-furancarboxylate IUPAC Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-methyl-2-furoate Formula: C22H20ClN2O5S- MolecularWeight: 459.9226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(OC(=C1)CN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C22H21ClN2O5S/c1-14-9-19(30-21(14)22(26)27)13-25-8-7-15-5-6-20(10-16(15)12-25)31(28,29)24-18-4-2-3-17(23)11-18/h2-6,9-11,24H,7-8,12-13H2,1H3,(H,26,27)/p-1