ethyl 3-bromanyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-(3-oxopiperazin-1-yl)sulfonyl-benzoate CAS Name: 3-bromo-4-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-4-(3-ketopiperazino)sulfonyl-benzoic acid ethyl ester Formula: C13H15BrN2O5S MolecularWeight: 391.2376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)Br

InChI

InChI=1S/C13H15BrN2O5S/c1-2-21-13(18)9-3-4-11(10(14)7-9)22(19,20)16-6-5-15-12(17)8-16/h3-4,7H,2,5-6,8H2,1H3,(H,15,17)