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

Systemtic Name: 3,4-bis(fluoranyl)-N-[(3-methylphenyl)methyl]-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: 3,4-difluoro-N-(m-tolylmethyl)-N-(3-oxo-3-piperazin-1-yl-propyl)benzenesulfonamide CAS Name: 3,4-difluoro-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 3,4-difluoro-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: 3,4-difluoro-N-(3-keto-3-piperazino-propyl)-N-(3-methylbenzyl)benzenesulfonamide Formula: C21H25F2N3O3S MolecularWeight: 437.503306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CCC(=O)N2CCNCC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=CC(=CC=C1)CN(CCC(=O)N2CCNCC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H25F2N3O3S/c1-16-3-2-4-17(13-16)15-26(10-7-21(27)25-11-8-24-9-12-25)30(28,29)18-5-6-19(22)20(23)14-18/h2-6,13-14,24H,7-12,15H2,1H3