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

Systemtic Name: N-[(4-bromophenyl)methyl]-3-methyl-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-3-methyl-N-(3-oxo-3-piperazin-1-yl-propyl)benzenesulfonamide CAS Name: N-[(4-bromophenyl)methyl]-3-methyl-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: N-(4-bromobenzyl)-N-(3-keto-3-piperazino-propyl)-3-methyl-benzenesulfonamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-17-3-2-4-20(15-17)29(27,28)25(16-18-5-7-19(22)8-6-18)12-9-21(26)24-13-10-23-11-14-24/h2-8,15,23H,9-14,16H2,1H3