2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethoxycarbonyl]benzoic acid

Systemtic Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethoxycarbonyl]benzoic acid Openeye Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethoxycarbonyl]benzoic acid CAS Name: 2-[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]ethoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethoxycarbonyl]benzoic acid Traditional Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazino]ethoxycarbonyl]benzoic acid Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O6S/c21-15-5-7-16(8-6-15)30(27,28)23-11-9-22(10-12-23)13-14-29-20(26)18-4-2-1-3-17(18)19(24)25/h1-8H,9-14H2,(H,24,25)