4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C16H24BrN3O3S2 MolecularWeight: 450.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H24BrN3O3S2/c1-12-10-15(13(2)9-14(12)17)24-11-16(21)19-5-7-20(8-6-19)25(22,23)18(3)4/h9-10H,5-8,11H2,1-4H3