(phenylmethyl) (4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxidanylidene-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate

Systemtic Name: (phenylmethyl) (4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxidanylidene-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate Openeye Name: benzyl (4aS,8aR)-6-methyl-1-oxo-2-(p-tolylsulfonyl)-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate CAS Name: (4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate Traditional Name: (4aS,8aR)-1-keto-6-methyl-2-tosyl-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid benzyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2(C(C1)CCN(C2=O)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC[C@]2([C@@H](C1)CCN(C2=O)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27NO5S/c1-18-8-10-22(11-9-18)32(29,30)26-15-13-21-16-19(2)12-14-25(21,23(26)27)24(28)31-17-20-6-4-3-5-7-20/h3-12,21H,13-17H2,1-2H3/t21-,25-/m1/s1