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

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethoxycarbonyl]benzoic acid Openeye Name: 2-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethoxycarbonyl]benzoic acid CAS Name: 2-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethoxycarbonyl]benzoic acid Traditional Name: 2-[2-(4-tosylpiperazino)ethoxycarbonyl]benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H24N2O6S/c1-16-6-8-17(9-7-16)30(27,28)23-12-10-22(11-13-23)14-15-29-21(26)19-5-3-2-4-18(19)20(24)25/h2-9H,10-15H2,1H3,(H,24,25)