methyl (2S)-3-[4-(6-azanylhexoxy)phenyl]-2-(butylsulfonylamino)propanoate

Systemtic Name: methyl (2S)-3-[4-(6-azanylhexoxy)phenyl]-2-(butylsulfonylamino)propanoate Openeye Name: methyl (2S)-3-[4-(6-aminohexoxy)phenyl]-2-(butylsulfonylamino)propanoate CAS Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-(butylsulfonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(6-aminohexoxy)phenyl]-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-(butylsulfonylamino)propionic acid methyl ester Formula: C20H34N2O5S MolecularWeight: 414.55936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCCCN)C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCCCN)C(=O)OC

InChI

InChI=1S/C20H34N2O5S/c1-3-4-15-28(24,25)22-19(20(23)26-2)16-17-9-11-18(12-10-17)27-14-8-6-5-7-13-21/h9-12,19,22H,3-8,13-16,21H2,1-2H3/t19-/m0/s1