2-[(4-bromophenyl)amino]-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-bromophenyl)amino]-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromoanilino)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-bromoanilino)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromoanilino)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-bromoanilino)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]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=CC=C(C=C3)Br)C

Isomeric SMILES

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

InChI

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