4-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-[3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-[3-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-[3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-[3-[4-(5-bromopyrimidin-2-yl)piperazino]-3-keto-propyl]benzenesulfonamide Formula: C17H20BrN5O3S MolecularWeight: 454.3414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H20BrN5O3S/c18-14-11-20-17(21-12-14)23-9-7-22(8-10-23)16(24)6-3-13-1-4-15(5-2-13)27(19,25)26/h1-2,4-5,11-12H,3,6-10H2,(H2,19,25,26)