6-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid

Systemtic Name: 6-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid Openeye Name: 6-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid CAS Name: 6-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid IUPAC Name: 6-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid Traditional Name: 6-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]hexanoic acid Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c22-18-5-4-6-19(14-18)23-29(27,28)20-9-8-16-10-12-24(15-17(16)13-20)11-3-1-2-7-21(25)26/h4-6,8-9,13-14,23H,1-3,7,10-12,15H2,(H,25,26)