2-[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]propyl]-4-bromanyl-phenol

Systemtic Name: 2-[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]propyl]-4-bromanyl-phenol Openeye Name: 4-bromo-2-[1-[(1,1-dioxothiolan-3-yl)amino]propyl]phenol CAS Name: 4-bromo-2-[1-[(1,1-dioxo-3-thiolanyl)amino]propyl]phenol IUPAC Name: 4-bromo-2-[1-[(1,1-dioxothiolan-3-yl)amino]propyl]phenol Traditional Name: 4-bromo-2-[1-[(1,1-diketothiolan-3-yl)amino]propyl]phenol Formula: C13H18BrNO3S MolecularWeight: 348.25592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)NC2CCS(=O)(=O)C2

Isomeric SMILES

CCC(C1=C(C=CC(=C1)Br)O)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C13H18BrNO3S/c1-2-12(11-7-9(14)3-4-13(11)16)15-10-5-6-19(17,18)8-10/h3-4,7,10,12,15-16H,2,5-6,8H2,1H3