3-[(4-bromophenyl)sulfonylamino]-2-(butoxycarbonylamino)propanoic acid

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-2-(butoxycarbonylamino)propanoic acid Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-2-(butoxycarbonylamino)propanoic acid CAS Name: 3-[(4-bromophenyl)sulfonylamino]-2-[[butoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-2-(butoxycarbonylamino)propanoic acid Traditional Name: 3-(brosylamino)-2-(butoxycarbonylamino)propionic acid Formula: C14H19BrN2O6S MolecularWeight: 423.27946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CNS(=O)(=O)C1=CC=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(CNS(=O)(=O)C1=CC=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C14H19BrN2O6S/c1-2-3-8-23-14(20)17-12(13(18)19)9-16-24(21,22)11-6-4-10(15)5-7-11/h4-7,12,16H,2-3,8-9H2,1H3,(H,17,20)(H,18,19)