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

Systemtic Name: 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[4-[1-(p-tolylsulfonyl)-3-piperidyl]phenyl]acetic acid CAS Name: 2-[4-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[4-(1-tosyl-3-piperidyl)phenyl]acetic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C20H23NO4S/c1-15-4-10-19(11-5-15)26(24,25)21-12-2-3-18(14-21)17-8-6-16(7-9-17)13-20(22)23/h4-11,18H,2-3,12-14H2,1H3,(H,22,23)