2-[3-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-(4-tert-butylphenyl)sulfonyl-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[1-(4-tert-butylphenyl)sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-[1-(4-tert-butylphenyl)sulfonyl-3-piperidyl]phenyl]acetic acid Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=CC(=CC=C3)CC(=O)O

InChI

InChI=1S/C23H29NO4S/c1-23(2,3)20-9-11-21(12-10-20)29(27,28)24-13-5-8-19(16-24)18-7-4-6-17(14-18)15-22(25)26/h4,6-7,9-12,14,19H,5,8,13,15-16H2,1-3H3,(H,25,26)