(4-bromophenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C18H18BrN3O6S MolecularWeight: 484.32102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O6S/c1-28-17-7-6-15(12-16(17)22(24)25)29(26,27)21-10-8-20(9-11-21)18(23)13-2-4-14(19)5-3-13/h2-7,12H,8-11H2,1H3