3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazino]sulfonyl-4-methyl-benzoic acid Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C20H24N2O7S2/c1-14-4-7-17(29-3)19(12-14)31(27,28)22-10-8-21(9-11-22)30(25,26)18-13-16(20(23)24)6-5-15(18)2/h4-7,12-13H,8-11H2,1-3H3,(H,23,24)