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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(m-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(m-tolylsulfonyl)piperazino]methanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H22N2O5S/c1-15-5-4-6-16(13-15)28(24,25)22-11-9-21(10-12-22)20(23)19-14-26-17-7-2-3-8-18(17)27-19/h2-8,13,19H,9-12,14H2,1H3