4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-(4-chlorophenyl)sulfonylpiperazino]sulfonylbenzoic acid Formula: C17H17ClN2O6S2 MolecularWeight: 444.90968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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