[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: (4-brosylpiperazino)-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C19H21BrN2O4S2 MolecularWeight: 485.41504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O4S2/c1-26-18-13-15(27-2)5-8-17(18)19(23)21-9-11-22(12-10-21)28(24,25)16-6-3-14(20)4-7-16/h3-8,13H,9-12H2,1-2H3