(5-bromanyl-2-oxidanyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C17H16BrN3O6S MolecularWeight: 470.29444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Br)O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=CC(=C2)Br)O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O6S/c18-12-4-5-16(22)15(10-12)17(23)19-6-8-20(9-7-19)28(26,27)14-3-1-2-13(11-14)21(24)25/h1-5,10-11,22H,6-9H2