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

Systemtic Name: (3-bromanyl-2,5-dimethoxy-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-bromo-2,5-dimethoxy-phenyl)methanone CAS Name: (3-bromo-2,5-dimethoxyphenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3-bromo-2,5-dimethoxyphenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-bromo-2,5-dimethoxy-phenyl)methanone Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-27-16-12-17(19(28-2)18(21)13-16)20(24)22-8-10-23(11-9-22)29(25,26)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3