N-[[1-[3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Systemtic Name: N-[[1-[3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide Openeye Name: N-[[1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide CAS Name: N-[[1-[3-[[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]sulfonyl]propyl]-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-5-carboxamide IUPAC Name: N-[[1-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylpropyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide Traditional Name: N-[[1-[3-(4-nicotinoylpiperazino)sulfonylpropyl]-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxin-5-carboxamide Formula: C28H37N5O6S MolecularWeight: 571.68828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=C3C(=CC=C2)OCCO3)CCCS(=O)(=O)N4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=C3C(=CC=C2)OCCO3)CCCS(=O)(=O)N4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H37N5O6S/c34-27(24-5-1-6-25-26(24)39-18-17-38-25)30-20-22-7-11-31(12-8-22)10-3-19-40(36,37)33-15-13-32(14-16-33)28(35)23-4-2-9-29-21-23/h1-2,4-6,9,21-22H,3,7-8,10-20H2,(H,30,34)