1-[[6-(4-ethylsulfonylphenyl)pyridin-3-yl]methyl]-4-propan-2-yl-piperazine

Systemtic Name: 1-[[6-(4-ethylsulfonylphenyl)pyridin-3-yl]methyl]-4-propan-2-yl-piperazine Openeye Name: 1-[[6-(4-ethylsulfonylphenyl)-3-pyridyl]methyl]-4-isopropyl-piperazine CAS Name: 1-[[6-(4-ethylsulfonylphenyl)-3-pyridinyl]methyl]-4-propan-2-ylpiperazine IUPAC Name: 1-[[6-(4-ethylsulfonylphenyl)pyridin-3-yl]methyl]-4-propan-2-ylpiperazine Traditional Name: 1-[[6-(4-esylphenyl)-3-pyridyl]methyl]-4-isopropyl-piperazine Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-4-27(25,26)20-8-6-19(7-9-20)21-10-5-18(15-22-21)16-23-11-13-24(14-12-23)17(2)3/h5-10,15,17H,4,11-14,16H2,1-3H3