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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (3-bromo-4-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=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O6S/c1-27-17-4-2-14(12-16(17)21)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