(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C28H23NO5S MolecularWeight: 485.55092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H23NO5S/c30-27(26-14-6-10-21-8-3-4-13-25(21)26)19-34-28(31)22-11-5-12-24(17-22)35(32,33)29-16-15-20-7-1-2-9-23(20)18-29/h1-14,17H,15-16,18-19H2