4-[4-(azocan-1-ylcarbonyl)piperidin-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione

Systemtic Name: 4-[4-(azocan-1-ylcarbonyl)piperidin-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Openeye Name: 4-[4-(azocane-1-carbonyl)-1-piperidyl]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[4-[1-azocanyl(oxo)methyl]-1-piperidinyl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione IUPAC Name: 4-[4-(azocane-1-carbonyl)piperidin-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Traditional Name: 4-[4-(azocane-1-carbonyl)piperidino]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCCCCCC5

Isomeric SMILES

C[C@H](C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCCCCCC5

InChI

InChI=1S/C27H33N3O3S/c1-19(23-11-8-18-34-23)30-26(32)21-9-7-10-22(24(21)27(30)33)28-16-12-20(13-17-28)25(31)29-14-5-3-2-4-6-15-29/h7-11,18-20H,2-6,12-17H2,1H3/t19-/m1/s1