2-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 2-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 2-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 2-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 2-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 2-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC2=C(C1)C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)O)N1CCC2=C(C1)C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O4S/c1-12(18(22)23)21-8-7-13-5-6-17(9-14(13)11-21)26(24,25)20-16-4-2-3-15(19)10-16/h2-6,9-10,12,20H,7-8,11H2,1H3,(H,22,23)