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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-15-5-2-9-19(11-15)26(24,25)21-10-4-8-18(14-21)17-7-3-6-16(12-17)13-20(22)23/h2-3,5-7,9,11-12,18H,4,8,10,13-14H2,1H3,(H,22,23)