5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

Systemtic Name: 5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide Openeye Name: 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide CAS Name: 5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-sulfonamide IUPAC Name: 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide Traditional Name: 5-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2,3-dihydro-1,4-benzodioxin-7-sulfonamide Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC4=C3OCCO4)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC4=C3OCCO4)S(=O)(=O)N

InChI

InChI=1S/C17H19N5O5S/c18-28(24,25)12-10-13(15-14(11-12)26-8-9-27-15)16(23)21-4-6-22(7-5-21)17-19-2-1-3-20-17/h1-3,10-11H,4-9H2,(H2,18,24,25)