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

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanoic acid Openeye Name: 2-[1-(p-tolylsulfonyl)-3-piperidyl]acetic acid CAS Name: 2-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]acetic acid IUPAC Name: 2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]acetic acid Traditional Name: 2-(1-tosyl-3-piperidyl)acetic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-11-4-6-13(7-5-11)20(18,19)15-8-2-3-12(10-15)9-14(16)17/h4-7,12H,2-3,8-10H2,1H3,(H,16,17)