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

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]methanone Formula: C20H23BrN2O6S MolecularWeight: 499.37542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O6S/c1-27-14-4-6-17(21)16(12-14)20(24)22-8-10-23(11-9-22)30(25,26)19-13-15(28-2)5-7-18(19)29-3/h4-7,12-13H,8-11H2,1-3H3