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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-2-4-19(20(24)25)23-10-9-14-7-8-18(11-15(14)13-23)28(26,27)22-17-6-3-5-16(21)12-17/h3,5-8,11-12,19,22H,2,4,9-10,13H2,1H3,(H,24,25)