methyl (2S)-2-(butylsulfonylamino)-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoate

Systemtic Name: methyl (2S)-2-(butylsulfonylamino)-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoate Openeye Name: methyl (2S)-2-(butylsulfonylamino)-3-[4-[4-(4-pyridyl)butoxy]phenyl]propanoate CAS Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(butylsulfonylamino)-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoate Traditional Name: (2S)-2-(butylsulfonylamino)-3-[4-[4-(4-pyridyl)butoxy]phenyl]propionic acid methyl ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2=CC=NC=C2)C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2=CC=NC=C2)C(=O)OC

InChI

InChI=1S/C23H32N2O5S/c1-3-4-17-31(27,28)25-22(23(26)29-2)18-20-8-10-21(11-9-20)30-16-6-5-7-19-12-14-24-15-13-19/h8-15,22,25H,3-7,16-18H2,1-2H3/t22-/m0/s1