5-[[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole Openeye Name: 5-[[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-isoxazole CAS Name: 5-[[4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-3-methylisoxazole IUPAC Name: 5-[[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole Traditional Name: 5-[[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazino]methyl]-3-methyl-isoxazole Formula: C17H22BrN3O5S MolecularWeight: 460.34268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

InChI

InChI=1S/C17H22BrN3O5S/c1-12-8-13(26-19-12)11-20-4-6-21(7-5-20)27(22,23)17-10-16(25-3)15(24-2)9-14(17)18/h8-10H,4-7,11H2,1-3H3