2-[2-methyl-5-[4-(4-propan-2-ylphenyl)piperazin-1-yl]sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-methyl-5-[4-(4-propan-2-ylphenyl)piperazin-1-yl]sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[5-[4-(4-isopropylphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[2-methyl-5-[[4-(4-propan-2-ylphenyl)-1-piperazinyl]sulfonyl]phenyl]acetic acid IUPAC Name: 2-[2-methyl-5-[4-(4-propan-2-ylphenyl)piperazin-1-yl]sulfonylphenyl]acetic acid Traditional Name: 2-[2-methyl-5-(4-p-cumenylpiperazino)sulfonyl-phenyl]acetic acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-16(2)18-5-7-20(8-6-18)23-10-12-24(13-11-23)29(27,28)21-9-4-17(3)19(14-21)15-22(25)26/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,26)