methyl 3-[4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1,3-thiazol-2-yl]benzoate

Systemtic Name: methyl 3-[4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1,3-thiazol-2-yl]benzoate Openeye Name: methyl 3-[5-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-4-(4-methylsulfonylphenyl)thiazol-2-yl]benzoate CAS Name: 3-[4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-2-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1,3-thiazol-2-yl]benzoate Traditional Name: 3-[5-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-4-(4-mesylphenyl)thiazol-2-yl]benzoic acid methyl ester Formula: C37H32N2O6S3 MolecularWeight: 696.85478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4=C(N=C(S4)C5=CC(=CC=C5)C(=O)OC)C6=CC=C(C=C6)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4=C(N=C(S4)C5=CC(=CC=C5)C(=O)OC)C6=CC=C(C=C6)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C37H32N2O6S3/c1-37(2,48(5,43)44)29-21-25-13-8-18-38-32(25)31(22-29)24-9-6-10-26(19-24)34-33(23-14-16-30(17-15-23)47(4,41)42)39-35(46-34)27-11-7-12-28(20-27)36(40)45-3/h6-22H,1-5H3