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

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]benzoic acid Openeye Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]benzoic acid CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]benzoic acid Traditional Name: 4-[4-(4-chlorophenyl)sulfonylpiperazino]benzoic acid Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2O4S/c18-14-3-7-16(8-4-14)25(23,24)20-11-9-19(10-12-20)15-5-1-13(2-6-15)17(21)22/h1-8H,9-12H2,(H,21,22)