N-[(4-bromophenyl)methyl]-3-fluoranyl-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-3-fluoranyl-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-3-fluoro-N-(3-oxo-3-piperazin-1-yl-propyl)benzenesulfonamide CAS Name: N-[(4-bromophenyl)methyl]-3-fluoro-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: N-(4-bromobenzyl)-3-fluoro-N-(3-keto-3-piperazino-propyl)benzenesulfonamide Formula: C20H23BrFN3O3S MolecularWeight: 484.382323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CCN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CCN1)C(=O)CCN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H23BrFN3O3S/c21-17-6-4-16(5-7-17)15-25(11-8-20(26)24-12-9-23-10-13-24)29(27,28)19-3-1-2-18(22)14-19/h1-7,14,23H,8-13,15H2