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

Systemtic Name: 4-[7-[(4-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Openeye Name: 4-[7-[(4-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid CAS Name: 4-[7-[(4-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid IUPAC Name: 4-[7-[(4-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Traditional Name: 4-[7-[(4-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]butyric acid Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)CCCC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)CCCC(=O)O

InChI

InChI=1S/C19H21ClN2O4S/c20-16-4-6-17(7-5-16)21-27(25,26)18-8-3-14-9-11-22(13-15(14)12-18)10-1-2-19(23)24/h3-8,12,21H,1-2,9-11,13H2,(H,23,24)