2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid CAS Name: 2-[[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H17ClN2O5S/c19-13-4-3-5-14(12-13)27(25,26)21-10-8-20(9-11-21)17(22)15-6-1-2-7-16(15)18(23)24/h1-7,12H,8-11H2,(H,23,24)