4-(4-methoxyphenyl)sulfonyl-3-methyl-1-(4-phenylmethoxyphenyl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-3-methyl-1-(4-phenylmethoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-benzyloxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-3-methyl-1-(4-phenylmethoxyphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-3-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 1-(4-benzoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C26H28N2O8S2 MolecularWeight: 560.63912

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H28N2O8S2/c1-19-25(26(29)30)28(17-16-27(19)37(31,32)23-12-8-21(35-2)9-13-23)38(33,34)24-14-10-22(11-15-24)36-18-20-6-4-3-5-7-20/h3-15,19,25H,16-18H2,1-2H3,(H,29,30)