1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid Formula: C21H25BrN2O8S MolecularWeight: 545.4008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23BrN2O4S.C2H2O4/c1-25-16-4-6-17(7-5-16)27(23,24)22-11-9-21(10-12-22)14-15-3-8-19(26-2)18(20)13-15;3-1(4)2(5)6/h3-8,13H,9-12,14H2,1-2H3;(H,3,4)(H,5,6)