4-bromanyl-3-methyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-3-methyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-bromo-3-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide CAS Name: 4-bromo-3-methyl-N-[4-(3-oxo-1-piperazinyl)phenyl]benzenesulfonamide IUPAC Name: 4-bromo-3-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[4-(3-ketopiperazino)phenyl]-3-methyl-benzenesulfonamide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)Br

InChI

InChI=1S/C17H18BrN3O3S/c1-12-10-15(6-7-16(12)18)25(23,24)20-13-2-4-14(5-3-13)21-9-8-19-17(22)11-21/h2-7,10,20H,8-9,11H2,1H3,(H,19,22)