2,3-dihydro-1,4-benzodioxin-6-yl-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)CC4=CC=CC=C4

InChI

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