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

Systemtic Name: 4-bromanyl-N-[(3-methylphenyl)methyl]-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: 4-bromo-N-(m-tolylmethyl)-N-(3-oxo-3-piperazin-1-yl-propyl)benzenesulfonamide CAS Name: 4-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: 4-bromo-N-(3-keto-3-piperazino-propyl)-N-(3-methylbenzyl)benzenesulfonamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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