[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone CAS Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)[C@H]2COC3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N2O5S/c23-20(19-14-26-17-8-4-5-9-18(17)27-19)21-10-12-22(13-11-21)28(24,25)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2/t19-/m1/s1