1-[1-[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonyl-4-phenyl-piperidin-4-yl]ethanone

Systemtic Name: 1-[1-[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonyl-4-phenyl-piperidin-4-yl]ethanone Openeye Name: 1-[1-[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]-4-phenyl-4-piperidyl]ethanone CAS Name: 1-[1-[[2-[(2,5-dimethoxyphenyl)thio]-3-pyridinyl]-oxomethyl]-4-phenyl-4-piperidinyl]ethanone IUPAC Name: 1-[1-[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]-4-phenylpiperidin-4-yl]ethanone Traditional Name: 1-[1-[2-[(2,5-dimethoxyphenyl)thio]nicotinoyl]-4-phenyl-4-piperidyl]ethanone Formula: C27H28N2O4S MolecularWeight: 476.58722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1(CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S/c1-19(30)27(20-8-5-4-6-9-20)13-16-29(17-14-27)26(31)22-10-7-15-28-25(22)34-24-18-21(32-2)11-12-23(24)33-3/h4-12,15,18H,13-14,16-17H2,1-3H3