3-(butylsulfonylamino)-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoic acid

Systemtic Name: 3-(butylsulfonylamino)-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoic acid Openeye Name: 3-(butylsulfonylamino)-3-[4-[[1-(4-pyridyl)-4-piperidyl]methoxy]phenyl]propanoic acid CAS Name: 3-(butylsulfonylamino)-3-[4-[(1-pyridin-4-yl-4-piperidinyl)methoxy]phenyl]propanoic acid IUPAC Name: 3-(butylsulfonylamino)-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoic acid Traditional Name: 3-(butylsulfonylamino)-3-[4-[[1-(4-pyridyl)-4-piperidyl]methoxy]phenyl]propionic acid Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC(=O)O)C1=CC=C(C=C1)OCC2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCCCS(=O)(=O)NC(CC(=O)O)C1=CC=C(C=C1)OCC2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C24H33N3O5S/c1-2-3-16-33(30,31)26-23(17-24(28)29)20-4-6-22(7-5-20)32-18-19-10-14-27(15-11-19)21-8-12-25-13-9-21/h4-9,12-13,19,23,26H,2-3,10-11,14-18H2,1H3,(H,28,29)