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

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O)C

InChI

InChI=1S/C19H21BrN2O4S/c1-13-3-6-18(14(2)11-13)27(25,26)22-9-7-21(8-10-22)19(24)16-12-15(20)4-5-17(16)23/h3-6,11-12,23H,7-10H2,1-2H3