naphthalen-1-ylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: naphthalen-1-ylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: 1-naphthylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 1-naphthylmethyl ester Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H23NO4S/c29-27(32-19-24-12-5-10-21-8-3-4-14-26(21)24)22-11-6-13-25(17-22)33(30,31)28-16-15-20-7-1-2-9-23(20)18-28/h1-14,17H,15-16,18-19H2