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

Systemtic Name: 2-[3-(1-phenethylsulfonylpiperidin-3-yl)phenyl]ethanoic acid Openeye Name: 2-[3-(1-phenethylsulfonyl-3-piperidyl)phenyl]acetic acid CAS Name: 2-[3-(1-phenethylsulfonyl-3-piperidinyl)phenyl]acetic acid IUPAC Name: 2-[3-(1-phenethylsulfonylpiperidin-3-yl)phenyl]acetic acid Traditional Name: 2-[3-(1-phenethylsulfonyl-3-piperidyl)phenyl]acetic acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCC2=CC=CC=C2)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCC2=CC=CC=C2)C3=CC(=CC=C3)CC(=O)O

InChI

InChI=1S/C21H25NO4S/c23-21(24)15-18-8-4-9-19(14-18)20-10-5-12-22(16-20)27(25,26)13-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2,(H,23,24)