5-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid

Systemtic Name: 5-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid Openeye Name: 5-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid CAS Name: 5-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid IUPAC Name: 5-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid Traditional Name: 5-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]valeric acid Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c21-17-4-3-5-18(13-17)22-28(26,27)19-8-7-15-9-11-23(14-16(15)12-19)10-2-1-6-20(24)25/h3-5,7-8,12-13,22H,1-2,6,9-11,14H2,(H,24,25)