3-[3-[6-oxidanylidene-1-[4-(1-oxidanylpentyl)phenyl]piperidin-2-yl]propyl]benzenesulfonic acid

Systemtic Name: 3-[3-[6-oxidanylidene-1-[4-(1-oxidanylpentyl)phenyl]piperidin-2-yl]propyl]benzenesulfonic acid Openeye Name: 3-[3-[1-[4-(1-hydroxypentyl)phenyl]-6-oxo-2-piperidyl]propyl]benzenesulfonic acid CAS Name: 3-[3-[1-[4-(1-hydroxypentyl)phenyl]-6-oxo-2-piperidinyl]propyl]benzenesulfonic acid IUPAC Name: 3-[3-[1-[4-(1-hydroxypentyl)phenyl]-6-oxopiperidin-2-yl]propyl]benzenesulfonic acid Traditional Name: 3-[3-[1-[4-(1-hydroxypentyl)phenyl]-6-keto-2-piperidyl]propyl]besylic acid Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)N2C(CCCC2=O)CCCC3=CC(=CC=C3)S(=O)(=O)O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)N2C(CCCC2=O)CCCC3=CC(=CC=C3)S(=O)(=O)O)O

InChI

InChI=1S/C25H33NO5S/c1-2-3-12-24(27)20-14-16-22(17-15-20)26-21(10-6-13-25(26)28)9-4-7-19-8-5-11-23(18-19)32(29,30)31/h5,8,11,14-18,21,24,27H,2-4,6-7,9-10,12-13H2,1H3,(H,29,30,31)