(7S,9aS)-2-[(4-methylsulfonylphenyl)methyl]-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

Systemtic Name: (7S,9aS)-2-[(4-methylsulfonylphenyl)methyl]-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine Openeye Name: (7S,9aS)-2-[(4-methylsulfonylphenyl)methyl]-7-[3-(1-piperidyl)propoxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine CAS Name: (7S,9aS)-2-[(4-methylsulfonylphenyl)methyl]-7-[3-(1-piperidinyl)propoxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine IUPAC Name: (7S,9aS)-2-[(4-methylsulfonylphenyl)methyl]-7-(3-piperidin-1-ylpropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine Traditional Name: (7S,9aS)-2-(4-mesylbenzyl)-7-(3-piperidinopropoxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine Formula: C25H41N3O3S MolecularWeight: 463.67634

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCN3CC(CCC3C2)COCCCN4CCCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCN3C[C@H](CC[C@H]3C2)COCCCN4CCCCC4

InChI

InChI=1S/C25H41N3O3S/c1-32(29,30)25-10-7-22(8-11-25)18-27-15-16-28-19-23(6-9-24(28)20-27)21-31-17-5-14-26-12-3-2-4-13-26/h7-8,10-11,23-24H,2-6,9,12-21H2,1H3/t23-,24-/m0/s1