1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-4-(4-pentoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-amoxyphenyl)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]butane-1,4-dione Formula: C27H34N2O7S MolecularWeight: 530.63306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C27H34N2O7S/c1-2-3-4-17-34-22-7-5-21(6-8-22)24(30)10-12-27(31)28-13-15-29(16-14-28)37(32,33)23-9-11-25-26(20-23)36-19-18-35-25/h5-9,11,20H,2-4,10,12-19H2,1H3