(2-bromanyl-5-methoxy-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]methanone Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21BrN2O6S/c1-27-14-2-4-17(21)16(12-14)20(24)22-6-8-23(9-7-22)30(25,26)15-3-5-18-19(13-15)29-11-10-28-18/h2-5,12-13H,6-11H2,1H3