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

Systemtic Name: 5-[5-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid Openeye Name: 5-[5-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid CAS Name: 5-[5-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid IUPAC Name: 5-[5-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid Traditional Name: 5-[5-(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)11-4-5-13-22-14-12-18-16(15-22)7-6-10-19(18)21-27(25,26)17-8-2-1-3-9-17/h1-3,6-10,21H,4-5,11-15H2,(H,23,24)