3-[4-(3-carboxyphenyl)sulfonyl-2,5-dimethyl-piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(3-carboxyphenyl)sulfonyl-2,5-dimethyl-piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(3-carboxyphenyl)sulfonyl-2,5-dimethyl-piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(3-carboxyphenyl)sulfonyl-2,5-dimethyl-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(3-carboxyphenyl)sulfonyl-2,5-dimethylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(3-carboxyphenyl)sulfonyl-2,5-dimethyl-piperazino]sulfonylbenzoic acid Formula: C20H22N2O8S2 MolecularWeight: 482.52728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1CN(C(CN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H22N2O8S2/c1-13-11-22(32(29,30)18-8-4-6-16(10-18)20(25)26)14(2)12-21(13)31(27,28)17-7-3-5-15(9-17)19(23)24/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)(H,25,26)