1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(4-chlorophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(4-chlorophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(4-chlorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(4-chlorophenyl)sulfonyl-piperazine; oxalic acid Formula: C20H22BrClN2O7S MolecularWeight: 549.81988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20BrClN2O3S.C2H2O4/c1-25-18-7-2-15(19)12-14(18)13-21-8-10-22(11-9-21)26(23,24)17-5-3-16(20)4-6-17;3-1(4)2(5)6/h2-7,12H,8-11,13H2,1H3;(H,3,4)(H,5,6)