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

Systemtic Name: 2-[3-[1-(4-cyanophenyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-(4-cyanophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[1-(4-cyanophenyl)sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-(4-cyanophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-[1-(4-cyanophenyl)sulfonyl-3-piperidyl]phenyl]acetic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)CC(=O)O

InChI

InChI=1S/C20H20N2O4S/c21-13-15-6-8-19(9-7-15)27(25,26)22-10-2-5-18(14-22)17-4-1-3-16(11-17)12-20(23)24/h1,3-4,6-9,11,18H,2,5,10,12,14H2,(H,23,24)