2-[(2-bromanyl-4-methyl-phenyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2-bromanyl-4-methyl-phenyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-bromo-4-methyl-anilino)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4-methylanilino)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4-methylanilino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-bromo-4-methyl-anilino)-1-(4-tosylpiperazino)ethanone Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C20H24BrN3O3S/c1-15-3-6-17(7-4-15)28(26,27)24-11-9-23(10-12-24)20(25)14-22-19-8-5-16(2)13-18(19)21/h3-8,13,22H,9-12,14H2,1-2H3