(5-bromanyl-2-oxidanyl-phenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]methanone Formula: C19H21BrN2O6S MolecularWeight: 485.34884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O6S/c1-27-17-6-4-14(12-18(17)28-2)29(25,26)22-9-7-21(8-10-22)19(24)15-11-13(20)3-5-16(15)23/h3-6,11-12,23H,7-10H2,1-2H3