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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

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