(3-cyanophenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (3-cyanophenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (3-cyanophenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid (3-cyanobenzyl) ester Formula: C25H22N2O5S MolecularWeight: 462.51758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C25H22N2O5S/c1-31-23-12-11-21(25(28)32-17-19-7-4-6-18(14-19)16-26)15-24(23)33(29,30)27-13-5-9-20-8-2-3-10-22(20)27/h2-4,6-8,10-12,14-15H,5,9,13,17H2,1H3