2-(2-ethanoyl-1H-indol-3-yl)-1-[(3S)-3-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(2-ethanoyl-1H-indol-3-yl)-1-[(3S)-3-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone Openeye Name: 2-(2-acetyl-1H-indol-3-yl)-1-[(3S)-3-(2-phenylsulfanylethyl)-1-piperidyl]ethanone CAS Name: 2-(2-acetyl-1H-indol-3-yl)-1-[(3S)-3-[2-(phenylthio)ethyl]-1-piperidinyl]ethanone IUPAC Name: 2-(2-acetyl-1H-indol-3-yl)-1-[(3S)-3-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone Traditional Name: 2-(2-acetyl-1H-indol-3-yl)-1-[(3S)-3-[2-(phenylthio)ethyl]piperidino]ethanone Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)N3CCCC(C3)CCSC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)N3CCC[C@H](C3)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-18(28)25-22(21-11-5-6-12-23(21)26-25)16-24(29)27-14-7-8-19(17-27)13-15-30-20-9-3-2-4-10-20/h2-6,9-12,19,26H,7-8,13-17H2,1H3/t19-/m0/s1