methyl (2R)-2-(butylsulfonylamino)-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate

Systemtic Name: methyl (2R)-2-(butylsulfonylamino)-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate Openeye Name: methyl (2R)-2-(butylsulfonylamino)-3-[4-[[1-(4-pyridyl)-4-piperidyl]methoxy]phenyl]propanoate CAS Name: (2R)-2-(butylsulfonylamino)-3-[4-[(1-pyridin-4-yl-4-piperidinyl)methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(butylsulfonylamino)-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate Traditional Name: (2R)-2-(butylsulfonylamino)-3-[4-[[1-(4-pyridyl)-4-piperidyl]methoxy]phenyl]propionic acid methyl ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCC2CCN(CC2)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)N[C@H](CC1=CC=C(C=C1)OCC2CCN(CC2)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C25H35N3O5S/c1-3-4-17-34(30,31)27-24(25(29)32-2)18-20-5-7-23(8-6-20)33-19-21-11-15-28(16-12-21)22-9-13-26-14-10-22/h5-10,13-14,21,24,27H,3-4,11-12,15-19H2,1-2H3/t24-/m1/s1