N-(4-bromanyl-3-methyl-phenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-N-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]methanesulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]methanesulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-N-[2-keto-2-(4-tosylpiperazino)ethyl]methanesulfonamide Formula: C21H26BrN3O5S2 MolecularWeight: 544.48224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C3=CC(=C(C=C3)Br)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C3=CC(=C(C=C3)Br)C)S(=O)(=O)C

InChI

InChI=1S/C21H26BrN3O5S2/c1-16-4-7-19(8-5-16)32(29,30)24-12-10-23(11-13-24)21(26)15-25(31(3,27)28)18-6-9-20(22)17(2)14-18/h4-9,14H,10-13,15H2,1-3H3