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

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(5-bromo-2-hydroxy-phenyl)methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(5-bromo-2-hydroxyphenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(5-bromo-2-hydroxy-phenyl)methanone Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Br)O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Br)O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19BrN2O4S/c19-15-6-7-17(22)16(12-15)18(23)20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2