4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-6-piperidino-pyrimidine Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H27N5O4S/c27-31(28,17-4-5-18-19(14-17)30-13-12-29-18)26-10-8-25(9-11-26)21-15-20(22-16-23-21)24-6-2-1-3-7-24/h4-5,14-16H,1-3,6-13H2