1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[5-(1-piperidylsulfonyl)-2-pyridyl]piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[5-(1-piperidinylsulfonyl)-2-pyridinyl]piperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazine Traditional Name: 1-(coumaran-5-ylmethyl)-4-(5-piperidinosulfonyl-2-pyridyl)piperazine Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H30N4O3S/c28-31(29,27-9-2-1-3-10-27)21-5-7-23(24-17-21)26-13-11-25(12-14-26)18-19-4-6-22-20(16-19)8-15-30-22/h4-7,16-17H,1-3,8-15,18H2