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

Systemtic Name: 2-[5-[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[[4-(4-tert-butylphenyl)-1-piperazinyl]sulfonyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl-2-methylphenyl]acetic acid Traditional Name: 2-[5-[4-(4-tert-butylphenyl)piperazino]sulfonyl-2-methyl-phenyl]acetic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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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)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)C)CC(=O)O

InChI

InChI=1S/C23H30N2O4S/c1-17-5-10-21(15-18(17)16-22(26)27)30(28,29)25-13-11-24(12-14-25)20-8-6-19(7-9-20)23(2,3)4/h5-10,15H,11-14,16H2,1-4H3,(H,26,27)