[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: (4-brosylpiperazino)-(3,5-dimethoxyphenyl)methanone Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5S/c1-26-16-11-14(12-17(13-16)27-2)19(23)21-7-9-22(10-8-21)28(24,25)18-5-3-15(20)4-6-18/h3-6,11-13H,7-10H2,1-2H3