(2-oxidanylidene-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 3-methoxy-2-methyl-4-(4-methylphenyl)sulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 3-methoxy-2-methyl-4-(4-methylphenyl)sulfonyl-benzoate Openeye Name: (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 3-methoxy-2-methyl-4-(p-tolylsulfonyl)benzoate CAS Name: 3-methoxy-2-methyl-4-(4-methylphenyl)sulfonylbenzoic acid (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) ester IUPAC Name: (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 3-methoxy-2-methyl-4-(4-methylphenyl)sulfonylbenzoate Traditional Name: 3-methoxy-2-methyl-4-tosyl-benzoic acid (2-keto-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) ester Formula: C31H29NO6S MolecularWeight: 543.63006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C=C2)C(=O)OC3=CC(=O)N(C4=C3CCCC4)C5=CC=CC=C5)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C=C2)C(=O)OC3=CC(=O)N(C4=C3CCCC4)C5=CC=CC=C5)C)OC

InChI

InChI=1S/C31H29NO6S/c1-20-13-15-23(16-14-20)39(35,36)28-18-17-24(21(2)30(28)37-3)31(34)38-27-19-29(33)32(22-9-5-4-6-10-22)26-12-8-7-11-25(26)27/h4-6,9-10,13-19H,7-8,11-12H2,1-3H3