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

Systemtic Name: 4-[2-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-(o-tolylsulfonyl)piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-(2-methylphenyl)sulfonyl-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-(o-tolylsulfonyl)piperazino]ethyl]benzoic acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H24N2O4S/c1-16-4-2-3-5-19(16)27(25,26)22-14-12-21(13-15-22)11-10-17-6-8-18(9-7-17)20(23)24/h2-9H,10-15H2,1H3,(H,23,24)