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

Systemtic Name: 5-[7-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid Openeye Name: 5-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid CAS Name: 5-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid IUPAC Name: 5-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid Traditional Name: 5-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]valeric acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CCCCC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CCCCC(=O)O

InChI

InChI=1S/C20H24N2O4S/c23-20(24)8-4-5-12-22-13-11-16-9-10-18(14-17(16)15-22)21-27(25,26)19-6-2-1-3-7-19/h1-3,6-7,9-10,14,21H,4-5,8,11-13,15H2,(H,23,24)