2-(4-cyanophenoxy)ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: 2-(4-cyanophenoxy)ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 2-(4-cyanophenoxy)ethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCCOC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCCOC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22N2O5S/c26-17-19-8-10-23(11-9-19)31-14-15-32-25(28)21-6-3-7-24(16-21)33(29,30)27-13-12-20-4-1-2-5-22(20)18-27/h1-11,16H,12-15,18H2