1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C18H20BrN3O5S MolecularWeight: 470.3375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20BrN3O5S/c1-27-18-6-5-15(19)11-14(18)13-20-7-9-21(10-8-20)28(25,26)17-4-2-3-16(12-17)22(23)24/h2-6,11-12H,7-10,13H2,1H3