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

Systemtic Name: 4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-(4-chlorophenyl)sulfonylpiperazino]ethyl]benzoic acid Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O4S/c20-17-5-7-18(8-6-17)27(25,26)22-13-11-21(12-14-22)10-9-15-1-3-16(4-2-15)19(23)24/h1-8H,9-14H2,(H,23,24)