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

Systemtic Name: 2-[3-(1-butylsulfonylpiperidin-3-yl)phenyl]ethanoic acid Openeye Name: 2-[3-(1-butylsulfonyl-3-piperidyl)phenyl]acetic acid CAS Name: 2-[3-(1-butylsulfonyl-3-piperidinyl)phenyl]acetic acid IUPAC Name: 2-[3-(1-butylsulfonylpiperidin-3-yl)phenyl]acetic acid Traditional Name: 2-[3-(1-butylsulfonyl-3-piperidyl)phenyl]acetic acid Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCCC(C1)C2=CC(=CC=C2)CC(=O)O

Isomeric SMILES

CCCCS(=O)(=O)N1CCCC(C1)C2=CC(=CC=C2)CC(=O)O

InChI

InChI=1S/C17H25NO4S/c1-2-3-10-23(21,22)18-9-5-8-16(13-18)15-7-4-6-14(11-15)12-17(19)20/h4,6-7,11,16H,2-3,5,8-10,12-13H2,1H3,(H,19,20)