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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(4-chlorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(4-chlorophenyl)sulfonyl-piperazine; oxalic acid Formula: C27H29ClN2O8S MolecularWeight: 577.04576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27ClN2O4S.C2H2O4/c1-31-24-12-7-21(17-25(24)32-19-20-5-3-2-4-6-20)18-27-13-15-28(16-14-27)33(29,30)23-10-8-22(26)9-11-23;3-1(4)2(5)6/h2-12,17H,13-16,18-19H2,1H3;(H,3,4)(H,5,6)