N-[(4-bromophenyl)methyl]-2-methyl-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2-methyl-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-2-methyl-N-(3-oxo-3-piperazin-1-yl-propyl)benzenesulfonamide CAS Name: N-[(4-bromophenyl)methyl]-2-methyl-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: N-(4-bromobenzyl)-N-(3-keto-3-piperazino-propyl)-2-methyl-benzenesulfonamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC=C(C=C3)Br

InChI

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