2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]propan-1-one Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O6S/c1-15-13-17(23)3-5-19(15)31-16(2)22(26)24-7-9-25(10-8-24)32(27,28)18-4-6-20-21(14-18)30-12-11-29-20/h3-6,13-14,16H,7-12H2,1-2H3