butylsulfonyl (2S)-2-azanyl-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoate

Systemtic Name: butylsulfonyl (2S)-2-azanyl-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoate Openeye Name: butylsulfonyl (2S)-2-amino-3-[4-[4-(4-pyridyl)butoxy]phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoic acid butylsulfonyl ester IUPAC Name: butylsulfonyl (2S)-2-amino-3-[4-(4-pyridin-4-ylbutoxy)phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-[4-(4-pyridyl)butoxy]phenyl]propionic acid butylsulfonyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-2-3-16-30(26,27)29-22(25)21(23)17-19-7-9-20(10-8-19)28-15-5-4-6-18-11-13-24-14-12-18/h7-14,21H,2-6,15-17,23H2,1H3/t21-/m0/s1