2-chloranyl-5-[4-(phenylsulfonyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[4-(phenylsulfonyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-2-chloro-benzoic acid CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]sulfonyl]-2-chlorobenzoic acid IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-2-chlorobenzoic acid Traditional Name: 5-(4-besylpiperazino)sulfonyl-2-chloro-benzoic acid Formula: C17H17ClN2O6S2 MolecularWeight: 444.90968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H17ClN2O6S2/c18-16-7-6-14(12-15(16)17(21)22)28(25,26)20-10-8-19(9-11-20)27(23,24)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,21,22)