5-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]pyrimidin-5-yl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]pyrimidin-5-yl]-3-methyl-1,2-oxazole Openeye Name: 5-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidyl]pyrimidin-5-yl]-3-methyl-isoxazole CAS Name: 5-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidinyl]-5-pyrimidinyl]-3-methylisoxazole IUPAC Name: 5-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]pyrimidin-5-yl]-3-methyl-1,2-oxazole Traditional Name: 5-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-piperidyl]pyrimidin-5-yl]-3-methyl-isoxazole Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CN=CN=C2C3CCCN(C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=NOC(=C1)C2=CN=CN=C2C3CCCN(C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H22N4O5S/c1-14-9-19(30-24-14)17-11-22-13-23-21(17)15-3-2-6-25(12-15)31(26,27)16-4-5-18-20(10-16)29-8-7-28-18/h4-5,9-11,13,15H,2-3,6-8,12H2,1H3