1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazino]ethanone Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H30N4O3S/c1-3-29(27,28)21-22-16-20(17-23-12-14-24(15-13-23)18(2)26)25(21)11-7-10-19-8-5-4-6-9-19/h4-6,8-9,16H,3,7,10-15,17H2,1-2H3