2-[3-[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]phenyl]quinolin-2-yl]sulfanylethanal

Systemtic Name: 2-[3-[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]phenyl]quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[3-[4-[1-(2,2-dimethylpropanoyl)-4-piperidyl]phenyl]-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[3-[4-[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]phenyl]-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[3-[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]phenyl]quinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[3-[4-(1-pivaloyl-4-piperidyl)phenyl]-2-quinolyl]thio]acetaldehyde Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

InChI

InChI=1S/C27H30N2O2S/c1-27(2,3)26(31)29-14-12-20(13-15-29)19-8-10-21(11-9-19)23-18-22-6-4-5-7-24(22)28-25(23)32-17-16-30/h4-11,16,18,20H,12-15,17H2,1-3H3