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

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-methyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-methyl-6-pyrrolidino-pyrimidine Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)N5CCCC5

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)N5CCCC5

InChI

InChI=1S/C21H27N5O4S/c1-16-22-20(24-6-2-3-7-24)15-21(23-16)25-8-10-26(11-9-25)31(27,28)17-4-5-18-19(14-17)30-13-12-29-18/h4-5,14-15H,2-3,6-13H2,1H3