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

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-(4-tosylpiperazino)methanone Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O4S/c1-13-2-5-15(6-3-13)26(24,25)21-10-8-20(9-11-21)18(23)16-12-14(19)4-7-17(16)22/h2-7,12,22H,8-11H2,1H3