3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(4-tosylpiperazino)propan-1-one Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O7S2/c1-17-2-4-18(5-3-17)33(28,29)24-11-9-23(10-12-24)22(25)8-15-32(26,27)19-6-7-20-21(16-19)31-14-13-30-20/h2-7,16H,8-15H2,1H3