methyl (7aS)-2-(4-methylphenyl)sulfonyl-6-prop-1-en-2-yl-1,3,7,7a-tetrahydroisoindole-5-carboxylate

Systemtic Name: methyl (7aS)-2-(4-methylphenyl)sulfonyl-6-prop-1-en-2-yl-1,3,7,7a-tetrahydroisoindole-5-carboxylate Openeye Name: methyl (7aS)-6-isopropenyl-2-(p-tolylsulfonyl)-1,3,7,7a-tetrahydroisoindole-5-carboxylate CAS Name: (7aS)-6-(1-methylethenyl)-2-(4-methylphenyl)sulfonyl-1,3,7,7a-tetrahydroisoindole-5-carboxylic acid methyl ester IUPAC Name: methyl (7aS)-2-(4-methylphenyl)sulfonyl-6-prop-1-en-2-yl-1,3,7,7a-tetrahydroisoindole-5-carboxylate Traditional Name: (7aS)-6-isopropenyl-2-tosyl-1,3,7,7a-tetrahydroisoindole-5-carboxylic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC(=C(C=C3C2)C(=O)OC)C(=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3CC(=C(C=C3C2)C(=O)OC)C(=C)C

InChI

InChI=1S/C20H23NO4S/c1-13(2)18-9-15-11-21(12-16(15)10-19(18)20(22)25-4)26(23,24)17-7-5-14(3)6-8-17/h5-8,10,15H,1,9,11-12H2,2-4H3/t15-/m1/s1