4-chloranyl-N-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-sulfamoyl-benzamide hydrate

Systemtic Name: 4-chloranyl-N-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-sulfamoyl-benzamide hydrate Openeye Name: 4-chloro-N-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-sulfamoyl-benzamide hydrate CAS Name: 4-chloro-N-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-sulfamoylbenzamide hydrate IUPAC Name: 4-chloro-N-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-sulfamoylbenzamide hydrate Traditional Name: 4-chloro-N-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-sulfamoyl-benzamide hydrate Formula: C19H24ClN3O6S MolecularWeight: 457.92836

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N)OC)OC.O

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N)OC)OC.O

InChI

InChI=1S/C19H22ClN3O5S.H2O/c1-11-14-10-17(28-3)16(27-2)8-12(14)6-7-23(11)22-19(24)13-4-5-15(20)18(9-13)29(21,25)26;/h4-5,8-11H,6-7H2,1-3H3,(H,22,24)(H2,21,25,26);1H2