3-(3-bromanylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-bromanylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromophenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-bromophenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromophenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromophenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C19H20BrN3O6S MolecularWeight: 498.3476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCOC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCOC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O6S/c20-15-3-1-5-17(13-15)29-12-7-19(24)21-8-10-22(11-9-21)30(27,28)18-6-2-4-16(14-18)23(25)26/h1-6,13-14H,7-12H2