ethyl 1-[4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C25H31ClN4O3S MolecularWeight: 503.05664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

InChI

InChI=1S/C25H31ClN4O3S/c1-2-33-24(32)20-7-6-14-30(16-20)23(31)19-10-8-18(9-11-19)17-34-25-27-21(26)15-22(28-25)29-12-4-3-5-13-29/h8-11,15,20H,2-7,12-14,16-17H2,1H3