(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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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=NN=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=NN=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O5S/c29-25(32-17-23-26-27-24(33-23)19-8-2-1-3-9-19)20-11-6-12-22(15-20)34(30,31)28-14-13-18-7-4-5-10-21(18)16-28/h1-12,15H,13-14,16-17H2