[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C27H26N2O5S MolecularWeight: 490.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H26N2O5S/c30-26(29-16-5-9-21-7-3-4-10-25(21)29)19-34-27(31)22-11-13-24(14-12-22)35(32,33)28-17-15-20-6-1-2-8-23(20)18-28/h1-4,6-8,10-14H,5,9,15-19H2