2-[(4-methoxyphenyl)methyl]-4-[(3S)-3-thiomorpholin-4-ylcarbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-4-[(3S)-3-thiomorpholin-4-ylcarbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)methyl]-4-[(3S)-3-(thiomorpholine-4-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-[(4-methoxyphenyl)methyl]-4-[(3S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)methyl]-4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-p-anisyl-4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCCC(C4)C(=O)N5CCSCC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC[C@@H](C4)C(=O)N5CCSCC5

InChI

InChI=1S/C26H29N3O4S/c1-33-20-9-7-18(8-10-20)16-29-25(31)21-5-2-6-22(23(21)26(29)32)28-11-3-4-19(17-28)24(30)27-12-14-34-15-13-27/h2,5-10,19H,3-4,11-17H2,1H3/t19-/m0/s1