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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(2-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/c1-27-17-7-6-15(19)12-14(17)13-20-8-10-21(11-9-20)28(25,26)18-5-3-2-4-16(18)22(23)24/h2-7,12H,8-11,13H2,1H3