3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 4-methoxy-3-(4-p-phenetylsulfonylpiperazino)sulfonyl-benzoic acid Formula: C20H24N2O8S2 MolecularWeight: 484.54316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C20H24N2O8S2/c1-3-30-16-5-7-17(8-6-16)31(25,26)21-10-12-22(13-11-21)32(27,28)19-14-15(20(23)24)4-9-18(19)29-2/h4-9,14H,3,10-13H2,1-2H3,(H,23,24)