(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-1-ium-4-ylbutoxy)phenyl]propanoate

Systemtic Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-1-ium-4-ylbutoxy)phenyl]propanoate Openeye Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-1-ium-4-ylbutoxy)phenyl]propanoate CAS Name: (2S)-2-(butylsulfonylamino)-3-[4-[4-(4-piperidin-1-iumyl)butoxy]phenyl]propanoate IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-1-ium-4-ylbutoxy)phenyl]propanoate Traditional Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-1-ium-4-ylbutoxy)phenyl]propionate Formula: C22H36N2O5S MolecularWeight: 440.59664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CC[NH2+]CC2)C(=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CC[NH2+]CC2)C(=O)[O-]

InChI

InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1