1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-3-(3,5-dimethylphenoxy)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-3-(3,5-dimethylphenoxy)propan-1-one Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-17-13-18(2)15-19(14-17)29-10-5-23(26)24-6-8-25(9-7-24)32(27,28)20-3-4-21-22(16-20)31-12-11-30-21/h3-4,13-16H,5-12H2,1-2H3