3-azanyl-4,4-bis[2-(phenylsulfonyl)ethyl]-1,2-oxazol-5-one

Systemtic Name: 3-azanyl-4,4-bis[2-(phenylsulfonyl)ethyl]-1,2-oxazol-5-one Openeye Name: 3-amino-4,4-bis[2-(benzenesulfonyl)ethyl]isoxazol-5-one CAS Name: 3-amino-4,4-bis[2-(benzenesulfonyl)ethyl]-5-isoxazolone IUPAC Name: 3-amino-4,4-bis[2-(benzenesulfonyl)ethyl]-1,2-oxazol-5-one Traditional Name: 3-amino-4,4-bis(2-besylethyl)-2-isoxazolin-5-one Formula: C19H20N2O6S2 MolecularWeight: 436.5019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=NOC2=O)N)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=NOC2=O)N)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O6S2/c20-17-19(18(22)27-21-17,11-13-28(23,24)15-7-3-1-4-8-15)12-14-29(25,26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,20,21)