3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H26N2O5S/c1-16-3-7-21(17(2)13-16)30(26,27)24-11-9-23(10-12-24)22(25)8-5-18-4-6-19-20(14-18)29-15-28-19/h3-4,6-7,13-14H,5,8-12,15H2,1-2H3