4-chloranyl-6-[[(E)-3-oxidanylidenebut-1-enyl]amino]-N1-prop-2-enyl-benzene-1,3-disulfonamide

Systemtic Name: 4-chloranyl-6-[[(E)-3-oxidanylidenebut-1-enyl]amino]-N1-prop-2-enyl-benzene-1,3-disulfonamide Openeye Name: N1-allyl-4-chloro-6-[[(E)-3-oxobut-1-enyl]amino]benzene-1,3-disulfonamide CAS Name: 4-chloro-6-[[(E)-3-oxobut-1-enyl]amino]-N1-prop-2-enylbenzene-1,3-disulfonamide IUPAC Name: 4-chloro-6-[[(E)-3-oxobut-1-enyl]amino]-1-N-prop-2-enylbenzene-1,3-disulfonamide Traditional Name: N-allyl-4-chloro-6-[[(E)-3-ketobut-1-enyl]amino]benzene-1,3-disulfonamide Formula: C13H16ClN3O5S2 MolecularWeight: 393.86624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CNC1=CC(=C(C=C1S(=O)(=O)NCC=C)S(=O)(=O)N)Cl

Isomeric SMILES

CC(=O)/C=C/NC1=CC(=C(C=C1S(=O)(=O)NCC=C)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H16ClN3O5S2/c1-3-5-17-24(21,22)13-8-12(23(15,19)20)10(14)7-11(13)16-6-4-9(2)18/h3-4,6-8,16-17H,1,5H2,2H3,(H2,15,19,20)/b6-4+