2-(2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoic acid

Systemtic Name: 2-(2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoic acid Openeye Name: 2-[2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-(2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid Traditional Name: 2-[2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19NO4S/c23-21(24)14-20-19-8-4-3-6-16(19)11-12-22(20)27(25,26)18-10-9-15-5-1-2-7-17(15)13-18/h1-10,13,20H,11-12,14H2,(H,23,24)